data_2mpg_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 2mpg _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.525 0 N-CA-C 117.59 1.796 . . . . 25.0 117.59 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp -59.67 -43.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 113.696 -1.252 . . . . 25.0 109.832 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.3 t -59.62 -48.61 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 C-N-CA 120.757 -0.377 . . . . 75.0 110.773 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.11 -43.69 94.53 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 123.116 0.567 . . . . 25.0 111.575 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -67.44 -41.12 85.25 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 119.454 -0.899 . . . . 25.0 110.131 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -81.0 -8.98 59.89 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.663 -1.273 . . . . 50.0 112.134 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.05 -36.99 69.75 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -102.76 -0.14 31.98 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -146.71 157.76 43.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.885 -0.598 . . . . 50.0 110.103 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.89 137.92 22.66 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.0 m -133.87 89.67 2.61 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 122.037 0.922 . . . . 25.0 111.097 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.0 p -69.35 163.0 26.13 Favored 'General case' 0 CA--C 1.493 -1.247 0 CA-C-N 114.806 -1.088 . . . . 50.0 109.54 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.56 -28.46 20.97 Favored 'General case' 1 C--O 1.312 4.358 0 O-C-N 119.068 -2.27 . . . . 75.0 113.384 170.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -64.34 -42.69 96.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.692 -1.88 . . . . 50.0 111.663 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -72.41 -41.49 66.18 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 113.865 -1.516 . . . . 50.0 112.731 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.76 -27.84 66.87 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.909 1.078 . . . . 50.0 113.909 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.45 -29.49 64.25 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 113.917 1.081 . . . . 75.0 113.917 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.02 -20.71 65.03 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.974 -1.079 . . . . 50.0 111.295 -175.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -90.04 -7.38 54.03 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 122.267 -0.27 . . . . 50.0 111.249 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.29 11.06 33.9 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 115.455 -0.793 . . . . 50.0 111.427 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t30 . . . . . 0 CA--C 1.564 1.488 0 CA-C-O 124.347 2.022 . . . . 50.0 109.616 -179.07 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.24 139.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 121.351 -0.843 . . . . 25.0 109.832 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -100.98 75.71 1.7 Allowed 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 105.778 -1.934 . . . . 50.0 105.778 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.19 -164.33 1.36 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.746 -1.205 . . . . 50.0 107.746 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -75.69 146.69 39.98 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.903 -1.147 . . . . 75.0 107.903 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -127.53 95.01 4.12 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.584 2.261 0 N-CA-C 114.17 1.174 . . . . 50.0 114.17 173.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 122.757 1.265 . . . . 50.0 111.714 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -54.71 -32.07 59.04 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 115.072 -0.967 . . . . 50.0 113.058 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.66 -44.18 87.12 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 119.413 -0.327 . . . . 50.0 110.737 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.2 t -68.92 -40.27 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 122.395 1.093 . . . . 25.0 109.722 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.97 -46.83 89.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.98 -1.075 . . . . 50.0 111.763 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.91 91.83 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.272 1.034 . . . . 25.0 113.356 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.62 -42.32 95.58 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.923 -1.111 . . . . 50.0 109.476 175.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.5 -35.62 79.94 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.835 -1.079 . . . . 25.0 111.054 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.42 -39.92 81.41 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 119.325 -0.95 . . . . 50.0 112.865 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.34 -31.97 16.43 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 C-N-CA 119.3 -0.96 . . . . 50.0 112.081 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -29.39 41.62 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.266 0.839 . . . . 50.0 113.266 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.49 -55.24 4.08 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 118.216 -1.324 . . . . 25.0 113.661 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -123.14 42.75 3.12 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.73 1.752 . . . . 50.0 115.73 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 54.06 40.29 31.47 Favored 'General case' 0 C--O 1.189 -2.08 0 N-CA-C 116.031 1.863 . . . . 50.0 116.031 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.26 44.16 3.0 Favored Glycine 0 C--O 1.212 -1.221 0 O-C-N 120.921 -1.112 . . . . 50.0 113.753 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.6 p90 . . . . . 0 C--N 1.306 -1.319 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 179.757 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 118.135 2.014 . . . . 25.0 118.135 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.8 mt -53.77 -57.46 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.832 1.653 . . . . 25.0 112.042 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.38 -47.46 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 119.069 -2.269 . . . . 75.0 110.594 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.18 -40.38 89.77 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 118.891 -0.576 . . . . 25.0 112.487 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -71.56 -39.3 70.71 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.674 0.75 . . . . 25.0 112.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -80.75 -52.68 7.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.843 -0.617 . . . . 50.0 112.553 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.2 t -72.42 -18.83 61.68 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.523 0.935 . . . . 25.0 113.523 -172.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -74.48 -10.26 59.39 Favored 'General case' 0 C--O 1.246 0.882 0 O-C-N 120.449 -1.407 . . . . 25.0 113.271 -174.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.53 -168.98 3.26 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.085 -1.82 . . . . 50.0 106.085 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -70.24 129.58 34.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 166.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.17 137.33 40.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.009 0.923 . . . . 25.0 109.147 -174.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -113.76 155.81 24.96 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 119.576 1.08 . . . . 50.0 113.591 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.06 -29.95 71.06 Favored 'General case' 1 C--O 1.318 4.709 0 CA-C-O 122.561 1.172 . . . . 75.0 112.46 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 119.5 -2.0 . . . . 50.0 110.389 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.35 -41.73 72.77 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 119.71 -1.868 . . . . 50.0 112.54 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.259 -1.525 . . . . 50.0 113.511 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -61.54 -22.2 64.94 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 118.502 -0.761 . . . . 75.0 110.463 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.55 -21.58 65.67 Favored 'General case' 0 C--O 1.205 -1.248 0 CA-C-N 120.052 1.296 . . . . 50.0 110.165 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.86 14.23 24.36 Favored 'General case' 0 C--O 1.26 1.643 0 O-C-N 123.761 0.663 . . . . 50.0 111.597 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 150.52 42.3 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.026 -0.988 . . . . 50.0 110.555 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.1 p30 . . . . . 0 C--O 1.204 -1.337 0 O-C-N 125.402 1.689 . . . . 50.0 112.793 177.678 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 C--O 1.207 -1.14 0 CA-C-O 120.958 0.409 . . . . 25.0 111.651 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.1 133.75 30.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -76.84 129.25 35.97 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 122.808 1.29 . . . . 50.0 112.145 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.39 173.63 13.8 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.918 -1.141 . . . . 50.0 107.918 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -76.77 -16.92 59.33 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.012 -0.995 . . . . 75.0 110.871 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 mt 48.48 59.13 4.54 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.018 0.927 . . . . 25.0 112.589 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 113.513 0.931 . . . . 50.0 113.513 -178.798 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.932 0.872 . . . . 50.0 112.738 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -74.49 -29.04 61.27 Favored 'General case' 0 C--O 1.179 -2.607 0 O-C-N 121.395 -0.816 . . . . 50.0 109.612 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.56 -37.18 79.69 Favored 'General case' 0 C--O 1.194 -1.839 0 O-C-N 121.115 -0.991 . . . . 50.0 108.596 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.69 -43.62 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.341 -1.474 . . . . 25.0 107.29 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.61 -42.14 91.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.094 -1.004 . . . . 50.0 111.797 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.14 90.85 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.303 0.641 . . . . 25.0 110.025 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.59 -42.34 96.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.028 0.442 . . . . 50.0 110.855 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -62.43 -42.3 99.34 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.399 -0.813 . . . . 25.0 111.078 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.32 -42.83 83.0 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.587 -0.845 . . . . 50.0 110.141 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -76.03 -29.62 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 118.042 -0.98 . . . . 50.0 112.198 -174.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -28.2 36.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 122.651 1.215 . . . . 50.0 109.002 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.66 -169.14 48.56 Favored Glycine 0 N--CA 1.439 -1.126 0 N-CA-C 108.881 -1.688 . . . . 25.0 108.881 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.29 -8.13 16.53 Favored 'General case' 0 C--O 1.259 1.583 0 O-C-N 121.626 -0.926 . . . . 50.0 113.219 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -56.56 -36.34 69.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.654 1.221 . . . . 50.0 108.132 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.82 168.16 33.97 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-O 123.443 1.579 . . . . 50.0 113.275 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -178.207 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.313 0 CA-C-O 124.153 1.974 . . . . 25.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.0 mt -52.54 -62.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.576 0 CA-C-N 111.864 -2.168 . . . . 25.0 112.511 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.25 -43.0 97.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 107.767 -1.197 . . . . 75.0 107.767 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.68 -49.15 77.66 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.199 -173.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.13 -42.88 65.52 Favored 'General case' 0 C--O 1.241 0.653 0 O-C-N 119.907 -1.746 . . . . 25.0 107.644 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.29 -20.93 65.91 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.841 0.746 . . . . 50.0 111.893 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -96.16 -43.8 7.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.885 -0.509 . . . . 25.0 110.946 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -69.46 -21.78 63.69 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 122.991 1.377 . . . . 25.0 113.168 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.5 m -128.88 170.96 12.77 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.247 -1.533 . . . . 50.0 107.831 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.4 mm -63.42 134.86 28.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 105.583 -2.006 . . . . 25.0 105.583 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -120.25 81.32 1.73 Allowed 'General case' 0 C--O 1.244 0.773 0 CA-C-O 122.693 1.235 . . . . 25.0 111.919 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -64.86 167.73 7.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.565 1.174 . . . . 50.0 113.83 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 mt -58.34 -38.69 77.69 Favored 'General case' 1 C--O 1.335 5.566 0 O-C-N 120.145 -1.597 . . . . 75.0 112.809 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.84 -36.52 72.42 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 118.304 -2.748 . . . . 50.0 113.221 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -76.15 -45.15 34.96 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 119.362 -0.935 . . . . 50.0 108.523 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.45 -36.74 34.76 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.105 1.15 . . . . 50.0 114.105 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -60.34 -30.96 69.87 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 113.16 0.8 . . . . 75.0 113.16 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.75 -16.15 63.26 Favored 'General case' 0 C--O 1.2 -1.518 0 C-N-CA 119.434 -0.906 . . . . 50.0 113.232 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -96.47 3.93 52.44 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 121.168 0.508 . . . . 50.0 111.104 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -94.41 -153.15 0.37 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.228 1.013 . . . . 50.0 108.659 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 N--CA 1.502 2.127 0 O-C-N 117.758 -3.089 . . . . 50.0 113.583 -179.387 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 115.027 1.492 . . . . 25.0 115.027 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.29 139.98 37.4 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -78.01 85.99 4.21 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 124.432 1.082 . . . . 50.0 109.524 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -154.57 -175.34 5.36 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.036 -1.468 . . . . 50.0 107.036 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -71.35 146.49 48.77 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 120.91 -1.119 . . . . 75.0 108.607 175.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.66 111.03 15.72 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 124.557 1.161 . . . . 25.0 109.159 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.551 0.992 0 CA-C-O 121.018 0.437 . . . . 50.0 110.246 -173.696 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t . . . . . 0 N--CA 1.445 -0.679 0 CA-C-O 121.098 0.475 . . . . 50.0 111.658 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -63.72 -33.1 74.9 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 119.89 -0.724 . . . . 50.0 112.603 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.77 -46.03 66.7 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 106.83 -1.545 . . . . 50.0 106.83 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.25 -50.63 77.77 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 O-C-N 121.27 -0.894 . . . . 25.0 110.142 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.626 -0.715 . . . . 50.0 110.565 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.84 82.93 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.409 1.1 . . . . 25.0 109.908 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.56 -41.28 98.41 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.824 -1.08 . . . . 50.0 113.102 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.71 -35.2 80.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.489 0.661 . . . . 25.0 111.941 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.7 mt -68.75 -47.76 65.45 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-O 121.453 0.644 . . . . 50.0 112.571 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -74.56 -34.86 36.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 118.277 -1.369 . . . . 50.0 110.807 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -82.57 -21.09 35.38 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 121.635 -0.666 . . . . 50.0 109.598 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 179.58 46.31 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 123.207 1.448 . . . . 25.0 113.06 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -72.26 -0.83 13.19 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 121.479 -1.012 . . . . 50.0 112.766 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -27.32 64.36 Favored 'General case' 0 C--O 1.204 -1.299 0 O-C-N 125.871 1.982 . . . . 50.0 108.437 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 164.43 38.01 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 114.117 -1.401 . . . . 50.0 115.97 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 21.7 p90 . . . . . 0 C--N 1.318 -0.767 0 N-CA-C 106.48 -1.674 . . . . 25.0 106.48 179.401 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 114.347 0.499 . . . . 25.0 114.347 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.4 mt -61.35 -43.7 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -172.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.21 -43.51 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-O 121.772 0.796 . . . . 75.0 109.983 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -72.06 -39.25 69.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.471 -1.393 . . . . 25.0 112.367 -175.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.05 -41.73 94.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 125.414 1.697 . . . . 25.0 113.232 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -85.67 -51.25 6.58 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.753 1.76 . . . . 50.0 115.753 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.63 -16.53 61.18 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -72.06 -5.21 33.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.932 -1.105 . . . . 25.0 113.715 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.7 p -139.96 -175.59 4.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 105.73 -1.952 . . . . 50.0 105.73 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.62 124.61 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 104.629 -2.36 . . . . 25.0 104.629 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.43 150.13 36.78 Favored 'General case' 0 CA--C 1.484 -1.56 0 CA-C-N 114.335 -1.302 . . . . 25.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -135.1 148.99 49.97 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 113.351 -1.75 . . . . 50.0 110.65 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.0 mm? -61.58 -33.43 73.87 Favored 'General case' 1 C--O 1.313 4.435 0 CA-C-O 124.726 2.203 . . . . 75.0 113.487 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.71 -40.04 95.93 Favored 'General case' 0 C--N 1.324 -0.517 1 O-C-N 115.625 -4.422 . . . . 50.0 112.452 171.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -72.23 -41.76 66.48 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 119.229 -2.17 . . . . 50.0 109.167 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.72 -29.11 64.46 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 114.322 1.23 . . . . 50.0 114.322 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.36 -25.84 67.43 Favored 'General case' 0 N--CA 1.439 -1.01 0 O-C-N 123.331 0.395 . . . . 75.0 111.821 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.72 -19.21 63.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.677 -0.639 . . . . 50.0 112.153 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.48 -2.39 36.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.146 -1.057 . . . . 50.0 108.146 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.67 164.85 18.36 Favored 'General case' 0 C--O 1.197 -1.679 0 N-CA-C 106.42 -1.696 . . . . 50.0 106.42 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 CA--C 1.572 1.818 0 CA-C-O 124.258 1.98 . . . . 50.0 114.358 -172.517 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 122.095 0.95 . . . . 25.0 113.292 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t 62.83 102.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 126.098 1.759 . . . . 25.0 112.491 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -87.94 59.18 5.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.152 -1.386 . . . . 50.0 111.588 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.39 -165.13 1.96 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.617 -0.677 . . . . 50.0 109.977 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -77.83 93.82 4.41 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.442 -0.577 . . . . 75.0 109.442 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.48 122.19 26.13 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.699 0 N-CA-C 108.608 -0.886 . . . . 50.0 108.608 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--O 1.197 -1.69 0 CA-C-O 122.401 1.096 . . . . 50.0 111.479 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -68.69 -33.14 73.45 Favored 'General case' 0 C--O 1.187 -2.218 0 C-N-CA 119.582 -0.847 . . . . 50.0 111.176 -174.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.48 -38.4 74.39 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 122.434 1.111 . . . . 50.0 109.734 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.53 -44.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 120.964 -1.085 . . . . 25.0 108.648 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.25 -42.43 99.19 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 118.966 -0.54 . . . . 50.0 109.81 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.42 95.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.69 97.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.518 -0.549 . . . . 50.0 109.518 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -65.4 -35.34 80.65 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 123.409 1.576 . . . . 25.0 113.877 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -72.39 -38.69 68.41 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 113.906 -1.497 . . . . 50.0 110.567 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -82.42 -34.62 12.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 119.31 -0.956 . . . . 50.0 112.56 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.72 -35.51 38.81 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 119.34 0.973 . . . . 50.0 110.038 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.76 173.63 14.52 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 120.457 -0.877 . . . . 25.0 112.892 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.79 -16.76 63.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.799 1.037 . . . . 50.0 113.799 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -76.64 -0.01 21.87 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 122.213 -0.304 . . . . 50.0 110.455 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -176.77 54.58 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 110.082 -1.207 . . . . 50.0 110.082 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.194 -1.833 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 -177.423 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.14 0 CA-C-O 121.564 0.536 . . . . 25.0 111.925 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.17 -51.36 63.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.517 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.01 -31.8 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 CA-C-N 115.263 -0.881 . . . . 75.0 112.494 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.9 -36.79 72.87 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 108.031 -1.099 . . . . 25.0 108.031 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -70.56 -41.84 71.92 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -100.08 -22.15 15.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 120.533 3.531 . . . . 50.0 120.533 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.33 -11.97 59.97 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.538 -1.351 . . . . 25.0 109.012 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -121.32 151.54 39.97 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.842 -1.161 . . . . 25.0 108.067 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t 48.33 -148.14 0.22 Allowed 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 115.719 -0.673 . . . . 50.0 110.716 -171.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.5 112.8 21.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 105.692 -1.966 . . . . 25.0 105.692 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.1 p -83.7 159.43 21.51 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.271 0.357 . . . . 25.0 110.621 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -102.2 153.73 19.69 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 121.293 0.568 . . . . 50.0 112.144 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 mt -67.81 -19.77 65.11 Favored 'General case' 1 C--O 1.325 5.043 0 N-CA-C 106.67 -1.604 . . . . 75.0 106.67 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -63.3 -43.81 96.79 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.367 -3.333 . . . . 50.0 110.584 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -68.05 -40.94 82.7 Favored 'General case' 0 C--O 1.172 -3.0 0 CA-C-N 114.254 -1.339 . . . . 50.0 110.824 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.17 -39.39 82.37 Favored 'General case' 0 C--O 1.182 -2.495 0 O-C-N 120.759 -1.213 . . . . 50.0 109.827 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.64 -20.95 66.59 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.326 -0.858 . . . . 75.0 112.806 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -71.84 -16.64 62.16 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.547 -0.739 . . . . 50.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -85.98 -6.62 59.02 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 118.702 0.683 . . . . 50.0 110.093 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.3 m -76.06 167.26 22.19 Favored 'General case' 0 C--O 1.197 -1.697 0 CA-C-O 123.99 1.852 . . . . 50.0 106.635 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.506 2.371 0 CA-C-O 125.248 2.451 . . . . 50.0 115.688 174.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.0 t -91.35 118.48 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -108.93 128.56 55.04 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 114.732 -1.122 . . . . 50.0 112.145 -170.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -133.9 -155.35 0.66 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.296 -1.32 . . . . 50.0 108.46 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -85.69 75.95 10.02 Favored 'General case' 0 CA--C 1.466 -2.257 0 C-N-CA 123.029 0.531 . . . . 75.0 109.907 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.13 125.52 25.24 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 107.694 -1.225 . . . . 25.0 107.694 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 -173.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 115.369 1.618 . . . . 50.0 115.369 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -63.62 -27.67 69.39 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 120.372 -1.455 . . . . 50.0 112.073 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.75 -42.13 91.29 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 108.215 -1.032 . . . . 50.0 108.215 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.8 t -66.85 -43.76 89.42 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.421 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -62.68 -39.74 94.92 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.402 -0.811 . . . . 50.0 110.453 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.97 84.46 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 118.432 0.56 . . . . 25.0 109.966 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -41.65 77.64 Favored 'General case' 0 C--O 1.206 -1.189 0 CA-C-O 121.169 0.509 . . . . 50.0 110.615 176.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -63.93 -43.16 96.73 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 119.578 -0.849 . . . . 25.0 112.092 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 mt -59.6 -47.05 87.09 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.454 0.645 . . . . 50.0 110.779 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.74 -28.27 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 O-C-N 120.507 -1.371 . . . . 50.0 112.053 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -85.75 -22.37 27.77 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.255 -1.387 . . . . 50.0 107.255 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 -173.15 50.27 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-O 124.816 2.342 . . . . 25.0 109.737 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -68.49 -11.0 59.2 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 112.823 -1.689 . . . . 50.0 109.371 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.8 mmm-85 -60.46 -31.61 70.61 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 122.439 1.114 . . . . 50.0 111.897 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.01 156.27 31.37 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 117.562 -1.688 . . . . 50.0 112.933 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.2 p90 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 124.067 1.889 . . . . 25.0 110.836 -175.615 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.006 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 mt -57.6 -46.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 CA-C-O 121.004 0.43 . . . . 25.0 111.291 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -71.54 -31.51 42.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 CA-C-O 121.746 0.784 . . . . 75.0 112.66 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -64.63 -50.87 65.42 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -65.36 -40.31 93.43 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -79.85 -16.38 55.54 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.544 0.942 . . . . 50.0 113.544 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.15 -38.07 10.31 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 120.69 -1.256 . . . . 25.0 113.102 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -75.14 -22.53 58.09 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 122.137 -0.352 . . . . 25.0 111.074 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.7 p -153.05 162.92 40.75 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 123.505 0.722 . . . . 50.0 110.334 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.72 95.11 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -68.37 150.82 47.72 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.655 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -92.95 147.56 22.74 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 121.603 0.716 . . . . 50.0 111.355 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.6 mt -55.83 -39.55 71.57 Favored 'General case' 1 C--O 1.34 5.829 0 CA-C-N 115.696 -0.684 . . . . 75.0 112.225 174.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -58.27 -35.16 71.34 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 118.562 -2.586 . . . . 50.0 114.168 171.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.03 -37.76 78.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.275 -1.515 . . . . 50.0 111.641 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -34.94 78.86 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.351 -0.84 . . . . 50.0 110.275 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -60.88 -19.28 59.98 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 114.836 1.421 . . . . 75.0 114.836 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -70.87 -16.39 62.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.016 0.913 . . . . 50.0 111.925 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -106.96 14.81 26.06 Favored 'General case' 0 CA--C 1.492 -1.252 0 C-N-CA 124.663 1.185 . . . . 50.0 108.258 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.64 -177.24 4.39 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 102.817 -3.031 . . . . 50.0 102.817 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--O 1.189 -2.081 0 CA-C-O 124.727 2.203 . . . . 50.0 111.735 179.66 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.5 t80 . . . . . 0 CA--C 1.483 -1.616 0 N-CA-C 115.676 1.732 . . . . 25.0 115.676 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.0 t -79.55 133.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 114.771 -1.104 . . . . 25.0 111.71 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -113.42 125.63 54.45 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 123.247 1.499 . . . . 50.0 109.745 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.77 -156.19 0.68 Allowed 'General case' 0 C--O 1.197 -1.69 0 N-CA-C 105.193 -2.151 . . . . 50.0 105.193 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.67 93.38 2.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 106.397 -1.705 . . . . 75.0 106.397 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.81 78.41 7.59 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 121.469 -0.769 . . . . 25.0 112.081 -171.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 83.9 m . . . . . 0 CA--C 1.563 1.45 0 CA-C-O 122.771 1.272 . . . . 50.0 107.953 -178.503 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 112.569 0.581 . . . . 50.0 112.569 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -67.58 -36.0 80.06 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 124.6 1.187 . . . . 50.0 111.486 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.04 -47.01 81.86 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 106.948 -1.501 . . . . 50.0 106.948 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.43 -46.71 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 CA-C-N 115.202 -0.908 . . . . 25.0 110.642 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -57.5 -44.85 85.31 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.204 0.94 . . . . 50.0 110.463 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.27 91.44 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 120.684 0.278 . . . . 25.0 111.322 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -56.7 -46.56 81.16 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.059 0.457 . . . . 50.0 110.066 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -61.81 -41.55 97.9 Favored 'General case' 0 C--O 1.191 -1.979 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.51 -33.15 68.96 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 119.408 -0.917 . . . . 50.0 112.875 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.28 -32.62 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 119.973 -1.704 . . . . 50.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.88 -39.97 29.36 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 119.126 -1.03 . . . . 50.0 110.322 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.87 178.55 17.33 Favored Glycine 0 C--O 1.248 0.969 0 CA-C-O 122.445 1.025 . . . . 25.0 111.947 -175.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.63 -13.22 62.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.95 -0.625 . . . . 50.0 109.744 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -12.85 61.28 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 124.197 0.936 . . . . 50.0 109.991 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 173.92 46.73 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-O 123.832 1.796 . . . . 50.0 112.776 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--O 1.206 -1.233 0 C-N-CA 125.592 1.557 . . . . 25.0 111.965 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.556 0 CA-C-O 125.792 2.884 . . . . 25.0 110.339 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mp -66.18 -46.82 86.55 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.076 0 CA-C-N 110.603 -2.799 . . . . 25.0 111.424 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.07 -32.89 49.5 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 O-C-N 121.043 -1.036 . . . . 75.0 110.22 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -64.55 -47.04 80.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.514 -0.312 . . . . 25.0 110.646 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -66.49 -45.08 80.81 Favored 'General case' 0 CA--C 1.559 1.32 0 O-C-N 123.358 0.411 . . . . 25.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -71.38 -23.69 61.94 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.243 1.572 . . . . 50.0 115.243 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.54 -37.79 59.78 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 120.539 1.518 . . . . 25.0 112.727 172.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -86.12 -26.66 25.1 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.579 1.081 . . . . 25.0 113.166 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t -126.46 179.66 5.2 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.622 -1.251 . . . . 50.0 107.622 -171.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mm -89.8 131.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.4 m -113.35 87.32 2.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.824 0.85 . . . . 25.0 112.664 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.7 m -68.01 153.29 44.04 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.98 0.895 . . . . 50.0 110.546 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -52.59 -45.0 66.32 Favored 'General case' 1 C--O 1.324 4.995 0 O-C-N 119.644 -1.91 . . . . 75.0 109.942 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -55.01 -42.47 72.6 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 116.172 -4.08 . . . . 50.0 113.891 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.14 -38.0 78.58 Favored 'General case' 0 CA--C 1.559 1.31 0 O-C-N 119.831 -1.793 . . . . 50.0 112.008 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -60.2 -30.17 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.427 -0.796 . . . . 50.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.23 -23.84 62.66 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-O 119.157 -0.449 . . . . 75.0 110.909 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.35 -19.76 65.48 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.122 1.328 . . . . 50.0 112.418 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.6 -3.7 35.65 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.553 0.692 . . . . 50.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -70.38 158.92 35.1 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 121.875 0.845 . . . . 50.0 109.942 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.508 2.46 0 CA-C-O 124.966 2.317 . . . . 50.0 113.532 174.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 N--CA 1.517 2.876 0 N-CA-C 117.786 2.513 . . . . 25.0 117.786 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.8 t -83.16 123.71 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.605 -1.309 . . . . 25.0 111.178 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -82.86 125.2 31.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.735 0.778 . . . . 50.0 112.491 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.62 -162.87 0.91 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.83 -1.174 . . . . 50.0 107.83 -175.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -61.61 150.31 36.63 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.565 -1.642 . . . . 75.0 106.565 172.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -141.05 128.85 21.67 Favored 'General case' 0 C--O 1.198 -1.627 0 C-N-CA 123.59 0.756 . . . . 25.0 109.372 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.209 -1.056 0 N-CA-C 105.943 -1.873 . . . . 50.0 105.943 -179.608 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 109.087 -0.709 . . . . 50.0 109.087 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -54.98 -37.37 66.46 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 116.593 -1.67 . . . . 50.0 111.766 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.01 -44.89 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 120.195 1.361 . . . . 50.0 108.456 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.26 -49.07 85.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.117 0.484 . . . . 25.0 109.741 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -43.04 98.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.404 -0.362 . . . . 50.0 110.712 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.65 92.48 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 121.59 -0.693 . . . . 25.0 109.324 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.44 -42.1 98.23 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.86 -42.56 97.51 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.235 -0.915 . . . . 25.0 110.711 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.36 -42.39 79.26 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.915 0.709 . . . . 50.0 112.915 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -72.88 -33.15 42.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.295 -0.562 . . . . 50.0 110.407 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -77.02 -36.29 56.33 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 114.028 1.122 . . . . 50.0 114.028 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.17 -177.61 20.32 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 125.01 2.45 . . . . 25.0 114.622 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.52 -14.16 60.44 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 112.349 -1.926 . . . . 50.0 111.709 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -17.81 61.77 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 116.007 -0.542 . . . . 50.0 112.226 174.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.0 -163.57 24.83 Favored Glycine 0 C--O 1.202 -1.882 0 C-N-CA 117.66 -2.209 . . . . 50.0 114.841 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 C--O 1.186 -2.263 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 179.811 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.449 0 CA-C-O 124.473 2.152 . . . . 25.0 112.707 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.41 -46.97 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 113.841 -1.18 . . . . 25.0 113.299 -173.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -78.34 -28.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 118.543 -1.263 . . . . 75.0 110.852 -174.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.88 -39.34 83.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.961 -1.126 . . . . 25.0 107.961 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -72.61 -35.33 67.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.738 -0.602 . . . . 25.0 111.852 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.15 -45.79 31.82 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 114.299 1.222 . . . . 50.0 114.299 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.94 -17.67 62.06 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 115.766 1.765 . . . . 25.0 115.766 -169.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -79.57 -4.53 51.92 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 119.979 -0.688 . . . . 25.0 109.806 -174.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 t -150.78 -158.95 0.97 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 100.846 -3.761 . . . . 50.0 100.846 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -120.88 99.38 7.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 101.265 -3.606 . . . . 25.0 101.265 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.22 156.36 38.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.35 -0.841 . . . . 25.0 111.354 -174.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 p -103.67 157.91 16.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 122.648 1.213 . . . . 50.0 111.524 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.04 -35.22 79.53 Favored 'General case' 1 C--O 1.35 6.356 0 O-C-N 120.287 -1.508 . . . . 75.0 107.643 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -54.95 -43.76 73.7 Favored 'General case' 0 C--O 1.196 -1.755 0 C-N-CA 128.4 2.68 . . . . 50.0 111.331 171.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.46 -38.26 71.29 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 119.652 -1.905 . . . . 50.0 110.071 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.18 -26.09 68.14 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.335 1.235 . . . . 50.0 114.335 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.52 -27.48 66.22 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 75.0 111.361 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.14 -16.75 63.72 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 113.954 1.094 . . . . 50.0 113.954 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -93.3 -7.43 44.96 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.58 0.705 . . . . 50.0 110.014 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -87.53 -30.71 20.37 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.068 -2.197 . . . . 50.0 105.068 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.363 1.159 0 O-C-N 118.965 -2.335 . . . . 50.0 112.626 -169.126 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 . . . . . 0 C--O 1.209 -1.056 0 CA-C-O 126.634 3.111 . . . . 25.0 114.171 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.36 137.79 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 110.788 -2.914 . . . . 25.0 107.835 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -76.55 21.13 0.2 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.205 1.187 . . . . 50.0 114.205 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -77.71 -176.89 4.57 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.137 -0.938 . . . . 50.0 109.406 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -70.31 -9.15 55.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.608 0.966 . . . . 75.0 113.608 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt 51.44 63.3 2.3 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.536 0.939 . . . . 25.0 113.536 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 C--O 1.274 2.352 0 N-CA-C 113.661 0.985 . . . . 50.0 113.661 179.414 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.206 0.817 . . . . 50.0 113.206 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -69.93 -31.08 68.65 Favored 'General case' 0 C--O 1.207 -1.164 0 O-C-N 121.59 -0.694 . . . . 50.0 109.72 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.09 -49.14 68.62 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.928 -1.878 . . . . 50.0 105.928 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 t -66.02 -37.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.027 -0.269 . . . . 25.0 110.768 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.95 -47.29 81.05 Favored 'General case' 0 CA--C 1.561 1.37 0 N-CA-C 109.158 -0.682 . . . . 50.0 109.158 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.56 99.56 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 122.086 -0.384 . . . . 25.0 110.931 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -43.5 96.87 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 118.439 -0.791 . . . . 50.0 110.528 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -63.76 -42.14 97.86 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.44 -37.48 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.894 1.442 . . . . 50.0 114.894 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.4 -28.28 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 122.638 1.209 . . . . 50.0 112.866 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.35 -39.38 25.17 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.074 -0.966 . . . . 50.0 112.105 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.45 -147.96 17.34 Favored Glycine 0 C--O 1.19 -2.601 0 CA-C-O 124.382 2.101 . . . . 25.0 111.176 -172.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.12 79.64 1.75 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.845 -1.678 . . . . 50.0 110.974 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 43.11 58.34 3.35 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 125.684 1.865 . . . . 50.0 113.27 172.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.42 24.99 9.91 Favored Glycine 0 C--O 1.196 -2.265 0 N-CA-C 110.278 -1.129 . . . . 50.0 110.278 172.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 p90 . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 -174.344 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.537 5.42 0 CA-C-O 123.711 1.728 . . . . 25.0 112.761 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.62 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 CA-C-N 113.95 -1.125 . . . . 25.0 111.447 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.72 -33.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 122.311 1.053 . . . . 75.0 113.119 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -38.78 92.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.439 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -83.96 -35.41 23.99 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.687 0.995 . . . . 25.0 113.687 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.4 -16.17 18.49 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 116.637 2.088 . . . . 50.0 116.637 -175.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.65 -0.93 57.2 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.464 -1.398 . . . . 25.0 108.365 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -117.97 160.78 20.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 51.22 -153.66 0.17 Allowed 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 123.932 0.893 . . . . 50.0 112.036 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.7 mm -110.34 117.31 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.55 113.08 3.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.754 -1.202 . . . . 25.0 107.754 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -104.39 154.69 19.53 Favored 'General case' 0 C--O 1.199 -1.605 0 CA-C-O 121.875 0.845 . . . . 50.0 112.292 -173.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.3 mt -58.27 -38.23 76.54 Favored 'General case' 1 C--O 1.308 4.135 0 O-C-N 119.414 -2.054 . . . . 75.0 111.897 -175.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.99 -42.31 97.23 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 123.374 1.559 . . . . 50.0 109.1 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -65.1 -47.37 77.47 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.339 -1.755 . . . . 50.0 108.62 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt -55.43 -40.12 71.1 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.933 0.77 . . . . 50.0 112.943 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -63.61 -25.11 68.08 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 117.674 -1.155 . . . . 75.0 112.728 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -70.65 -31.76 68.81 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 119.913 1.233 . . . . 50.0 108.123 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -78.64 -7.55 57.75 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 113.499 0.926 . . . . 50.0 113.499 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t -77.94 -19.22 54.99 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.865 -1.161 . . . . 50.0 107.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--O 1.207 -1.136 0 CA-C-O 125.366 2.508 . . . . 50.0 111.328 -175.686 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 CA--C 1.557 1.248 0 CA-C-O 125.653 2.644 . . . . 25.0 114.8 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -114.77 126.08 72.24 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.542 0 C-N-CA 128.335 2.654 . . . . 25.0 108.31 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.89 131.14 55.56 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.699 -1.593 . . . . 50.0 106.699 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -165.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 105.171 -2.159 . . . . 50.0 105.171 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -64.77 137.29 57.7 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 104.916 -2.253 . . . . 75.0 104.916 165.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.26 128.45 43.26 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.979 0.8 . . . . 25.0 112.152 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.185 0 O-C-N 124.391 1.057 . . . . 50.0 109.408 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 113.174 0.805 . . . . 50.0 113.174 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.47 -41.67 98.94 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 120.868 -1.145 . . . . 50.0 113.067 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.25 -38.76 78.62 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 115.266 -0.879 . . . . 50.0 109.027 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.82 -43.9 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 119.808 -0.757 . . . . 25.0 110.481 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -40.55 95.07 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.111 -0.636 . . . . 50.0 111.91 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.87 95.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -42.27 95.56 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-N 118.038 0.381 . . . . 50.0 110.153 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.47 -42.39 96.15 Favored 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.08 -40.81 98.76 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 121.03 -1.044 . . . . 50.0 112.419 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.2 t -64.09 -43.68 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 CA-C-N 115.935 -0.575 . . . . 50.0 111.871 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 -9.41 57.16 Favored 'General case' 0 C--O 1.27 2.143 0 N-CA-C 114.177 1.177 . . . . 50.0 114.177 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.52 -158.15 53.59 Favored Glycine 0 N--CA 1.429 -1.794 0 N-CA-C 109.297 -1.521 . . . . 25.0 109.297 -174.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.26 6.59 9.51 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.219 -1.166 . . . . 50.0 112.665 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -78.95 -26.99 43.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.405 0.548 . . . . 50.0 110.902 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 -176.04 51.47 Favored Glycine 0 N--CA 1.485 1.906 0 C-N-CA 120.047 -1.073 . . . . 50.0 114.622 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.1 p90 . . . . . 0 C--O 1.247 0.958 0 C-N-CA 124.413 1.085 . . . . 25.0 113.64 -173.474 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.288 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.9 mt -60.03 -41.53 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.207 -1.172 . . . . 25.0 110.843 -172.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.5 t -61.43 -54.26 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-O 118.249 -0.881 . . . . 75.0 109.133 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.48 -44.12 95.32 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.944 0.777 . . . . 25.0 110.84 -173.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -67.9 -35.47 78.55 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 118.2 0.454 . . . . 25.0 112.159 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.5 m -81.72 -21.23 38.07 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.555 0.946 . . . . 50.0 113.555 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.7 m -82.61 -40.91 20.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 O-C-N 120.026 -1.671 . . . . 25.0 109.475 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -84.15 -16.06 44.87 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 120.689 -1.257 . . . . 25.0 112.219 -176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -147.9 162.68 38.8 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 119.307 0.958 . . . . 50.0 110.966 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.77 131.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.92 163.63 23.22 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 104.412 -2.44 . . . . 25.0 104.412 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.34 168.91 18.76 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 115.473 1.657 . . . . 50.0 115.473 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.93 -38.81 83.46 Favored 'General case' 1 C--O 1.323 4.934 0 CA-C-N 114.273 -1.331 . . . . 75.0 112.342 -169.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -52.13 -50.34 61.92 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 123.312 1.529 . . . . 50.0 111.329 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -68.72 -37.91 79.81 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 120.483 -1.385 . . . . 50.0 111.047 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.08 -35.71 69.71 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.656 0.984 . . . . 50.0 113.656 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.51 -31.04 69.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.546 -0.752 . . . . 75.0 111.405 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -70.52 -9.06 55.74 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 120.448 -1.408 . . . . 50.0 114.439 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -100.09 8.06 44.2 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 123.45 0.7 . . . . 50.0 110.187 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -155.91 -139.51 0.08 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.15 -1.796 . . . . 50.0 106.15 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 123.25 1.5 . . . . 50.0 108.222 174.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.203 -1.389 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.79 143.87 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 121.869 0.842 . . . . 25.0 109.923 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -85.34 84.14 7.75 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.027 -1.046 . . . . 50.0 108.973 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -135.31 -179.96 5.95 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 106.323 -1.732 . . . . 50.0 106.323 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -70.04 154.01 42.48 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.85 -1.537 . . . . 75.0 106.85 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.73 112.97 18.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.241 0.646 0 CA-C-O 121.563 0.697 . . . . 50.0 111.501 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 107.009 -1.478 . . . . 50.0 107.009 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -34.04 77.0 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 124.315 1.009 . . . . 50.0 113.201 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -34.19 67.86 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.286 -1.746 . . . . 50.0 106.286 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.66 -43.77 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 121.808 0.814 . . . . 25.0 109.516 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -64.53 -37.27 86.98 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 115.064 -0.971 . . . . 50.0 109.558 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.34 92.83 Favored 'General case' 0 C--O 1.257 1.496 0 O-C-N 120.739 -1.226 . . . . 25.0 112.257 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.43 -45.0 92.79 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 124.805 1.316 . . . . 50.0 110.307 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -65.16 -35.91 82.59 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 121.551 -0.718 . . . . 25.0 112.846 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.79 -44.94 69.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.503 0.557 . . . . 50.0 112.503 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -75.62 -30.51 21.86 Favored 'Isoleucine or valine' 0 C--O 1.258 1.55 0 CA-C-O 121.0 0.428 . . . . 50.0 111.807 -174.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.04 -36.12 28.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 118.749 -1.18 . . . . 50.0 112.327 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.04 -174.54 24.35 Favored Glycine 0 C--N 1.305 -1.141 0 CA-C-O 122.843 1.246 . . . . 25.0 112.308 -172.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.04 7.58 0.53 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 125.389 1.476 . . . . 50.0 114.06 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -75.3 -29.78 60.17 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 124.541 1.151 . . . . 50.0 109.789 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.35 170.79 47.54 Favored Glycine 0 C--O 1.205 -1.709 0 CA-C-O 117.708 -1.607 . . . . 50.0 114.446 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.201 -1.466 0 CA-C-N 118.487 1.144 . . . . 25.0 113.675 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.681 0 CA-C-O 126.513 3.285 . . . . 25.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.8 mt -51.24 -58.78 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.63 0 CA-C-N 112.355 -1.922 . . . . 25.0 113.482 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.57 -40.83 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 108.422 -0.955 . . . . 75.0 108.422 -172.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.92 -49.01 78.22 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 118.74 -0.648 . . . . 25.0 110.685 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.29 -34.4 77.31 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -76.5 -40.09 51.21 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 114.557 1.317 . . . . 50.0 114.557 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.34 -32.79 73.61 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.578 1.695 . . . . 25.0 115.578 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 t -82.45 142.61 31.77 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t 53.69 -175.84 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 124.598 2.142 . . . . 50.0 113.905 -167.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -78.22 123.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 114.365 -1.289 . . . . 25.0 107.818 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.57 160.95 14.11 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.578 0.751 . . . . 25.0 112.197 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.9 p -148.46 157.83 43.72 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.229 0.538 . . . . 50.0 110.75 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.02 -33.14 70.4 Favored 'General case' 1 C--O 1.312 4.372 0 CA-C-O 124.496 2.093 . . . . 75.0 109.364 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -60.7 -36.6 79.19 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 117.046 -3.534 . . . . 50.0 113.826 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -76.54 -37.28 56.88 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 119.448 -2.032 . . . . 50.0 111.418 174.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.78 -35.85 77.49 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.049 0.389 . . . . 50.0 112.049 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.02 -22.15 62.25 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 116.629 2.085 . . . . 75.0 116.629 171.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.85 -11.97 60.8 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.533 -0.867 . . . . 50.0 112.309 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -98.18 3.48 49.02 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 121.438 -0.789 . . . . 50.0 111.114 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.7 m -104.65 177.28 4.89 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 106.737 -1.579 . . . . 50.0 106.737 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.0 t30 . . . . . 0 C--O 1.204 -1.322 0 O-C-N 119.5 -2.0 . . . . 50.0 115.811 173.463 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 116.158 1.911 . . . . 25.0 116.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 p -132.07 146.77 32.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 N-CA-C 105.271 -2.122 . . . . 25.0 105.271 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -91.34 74.97 6.09 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 107.602 -1.258 . . . . 50.0 107.602 -176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.08 -163.34 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 50.0 111.204 -170.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.56 82.62 1.11 Allowed 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 108.464 -0.939 . . . . 75.0 108.464 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.65 122.94 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 106.044 -1.835 . . . . 25.0 106.044 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.255 1.365 0 N-CA-C 114.371 1.249 . . . . 50.0 114.371 -177.365 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 122.294 1.045 . . . . 50.0 110.077 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -63.52 -31.81 73.08 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 120.343 -1.473 . . . . 50.0 113.758 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.25 -44.12 84.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.694 -0.802 . . . . 50.0 110.406 171.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.0 -46.41 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.76 -44.69 90.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.633 -1.167 . . . . 50.0 112.061 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -34.56 62.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.564 -0.71 . . . . 25.0 110.947 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.04 -44.99 87.27 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 118.22 -1.392 . . . . 50.0 112.039 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -58.8 -41.62 87.16 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 121.385 0.612 . . . . 25.0 110.63 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.43 -50.65 71.97 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.094 -0.957 . . . . 50.0 113.182 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.49 -29.77 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 119.424 1.011 . . . . 50.0 112.327 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -40.72 47.27 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.306 -0.871 . . . . 50.0 109.789 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.85 -171.83 21.21 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 114.884 -1.053 . . . . 25.0 114.899 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -16.88 63.94 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.157 -1.79 . . . . 50.0 113.061 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -13.41 40.99 Favored 'General case' 0 C--O 1.2 -1.54 0 N-CA-C 114.698 1.37 . . . . 50.0 114.698 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.21 -172.13 50.34 Favored Glycine 0 CA--C 1.499 -0.965 0 C-N-CA 120.334 -0.936 . . . . 50.0 115.347 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.2 p90 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 -176.502 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 CA-C-O 125.672 2.818 . . . . 25.0 112.575 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.89 -35.92 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 CA-C-N 110.835 -2.682 . . . . 25.0 110.32 -175.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.18 -45.36 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 O-C-N 120.309 -1.495 . . . . 75.0 109.68 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -71.7 -41.67 68.32 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.59 -0.694 . . . . 25.0 111.287 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -62.1 -41.94 98.72 Favored 'General case' 0 CA--C 1.578 2.049 0 N-CA-C 114.899 1.444 . . . . 25.0 114.899 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.02 -7.09 10.9 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.459 2.022 . . . . 50.0 116.459 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.86 -29.53 50.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.222 -2.174 . . . . 25.0 109.069 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -104.28 -4.11 23.39 Favored 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -135.0 162.27 32.91 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.269 -0.895 . . . . 50.0 110.5 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mm -73.14 128.12 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 119.405 -0.331 . . . . 25.0 110.269 172.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m -127.55 151.98 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 m -115.6 170.97 8.03 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.105 0.78 . . . . 50.0 113.105 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.54 -35.21 62.97 Favored 'General case' 1 C--O 1.312 4.387 0 C-N-CA 124.061 0.945 . . . . 75.0 111.306 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -61.12 -37.62 83.43 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 117.018 -3.551 . . . . 50.0 114.212 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -75.42 -37.65 60.31 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 114.981 -1.009 . . . . 50.0 110.128 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.76 -24.77 67.66 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 117.799 -1.56 . . . . 50.0 113.081 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.11 -28.64 62.86 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 121.728 -0.607 . . . . 75.0 111.339 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -66.13 -15.96 63.55 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.636 -0.665 . . . . 50.0 111.213 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -106.62 8.48 31.2 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.587 0.708 . . . . 50.0 109.507 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.9 m -107.54 -174.14 2.46 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 102.005 -3.331 . . . . 50.0 102.005 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 . . . . . 0 C--N 1.355 0.843 0 CA-C-O 127.871 3.7 . . . . 50.0 111.32 174.879 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 122.94 1.352 . . . . 25.0 112.598 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.94 126.06 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 113.926 -1.488 . . . . 25.0 108.858 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -73.97 128.77 36.39 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.301 -0.874 . . . . 50.0 112.139 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -156.31 -173.19 4.39 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 107.715 -1.217 . . . . 50.0 107.715 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.42 149.92 47.82 Favored 'General case' 0 C--O 1.194 -1.844 0 N-CA-C 106.887 -1.523 . . . . 75.0 106.887 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -129.26 105.88 8.44 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 122.807 0.443 . . . . 25.0 110.383 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 108.265 -1.013 . . . . 50.0 108.265 178.328 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 CA--C 1.553 1.075 0 N-CA-C 113.841 1.052 . . . . 50.0 113.841 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.53 -39.4 94.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.201 1.001 . . . . 50.0 109.141 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.2 -47.16 80.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.757 -1.111 . . . . 50.0 108.724 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.6 -47.63 92.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.19 -41.44 90.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.974 0.91 . . . . 50.0 112.678 -177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.05 90.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.437 1.017 . . . . 25.0 109.578 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.15 -43.68 86.29 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.721 -1.214 . . . . 50.0 107.721 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.44 -42.68 99.63 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.848 0.718 . . . . 25.0 110.11 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.39 -41.32 98.57 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.912 -0.492 . . . . 50.0 112.204 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.31 -29.04 15.01 Favored 'Isoleucine or valine' 0 C--O 1.251 1.134 0 O-C-N 121.337 -0.852 . . . . 50.0 111.147 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -20.01 56.42 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 176.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.81 -171.7 54.63 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 107.989 -2.044 . . . . 25.0 107.989 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.36 -6.13 22.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.61 -0.795 . . . . 50.0 110.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -21.06 64.32 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 123.259 0.35 . . . . 50.0 111.122 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.13 -179.97 53.33 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 111.334 -0.706 . . . . 50.0 111.334 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.0 p90 . . . . . 0 C--O 1.215 -0.748 0 CA-C-N 114.583 -0.808 . . . . 25.0 109.69 178.322 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.517 4.082 0 CA-C-O 125.113 2.507 . . . . 25.0 113.687 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.69 -50.37 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.99 0 O-C-N 120.816 -1.402 . . . . 25.0 110.678 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -72.03 -33.15 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.59 0 C-N-CA 118.382 -1.327 . . . . 75.0 110.512 -174.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.13 -35.99 81.96 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.221 1.01 . . . . 25.0 109.926 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -76.12 -47.63 23.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.574 -0.739 . . . . 25.0 111.315 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -109.64 -26.77 9.72 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 118.663 2.838 . . . . 50.0 118.663 -166.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.3 m -91.83 -18.58 23.61 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 119.957 -1.714 . . . . 25.0 112.918 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -116.77 -8.05 11.43 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.901 1.334 . . . . 25.0 110.221 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.9 m -136.12 -176.94 4.48 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 105.552 -2.018 . . . . 50.0 105.552 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -106.19 135.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 174.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.41 170.17 15.88 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m -129.65 168.79 15.93 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 113.997 1.11 . . . . 50.0 113.997 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mp -58.83 -30.28 67.53 Favored 'General case' 1 C--O 1.359 6.852 0 C-N-CA 128.288 2.635 . . . . 75.0 110.706 -171.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -58.61 -51.37 70.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 118.643 -2.536 . . . . 50.0 110.96 174.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -66.78 -36.35 82.21 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.829 -0.623 . . . . 50.0 109.321 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.39 -28.81 70.04 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.51 0.93 . . . . 50.0 113.51 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.68 -24.41 63.91 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.313 0.486 . . . . 75.0 112.313 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.11 -22.57 64.88 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.89 -0.724 . . . . 50.0 111.986 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -87.23 0.41 55.4 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 123.298 1.523 . . . . 50.0 109.466 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -96.21 -176.87 3.79 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 106.975 -1.491 . . . . 50.0 106.975 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 t30 . . . . . 0 C--O 1.183 -2.413 0 CA-C-O 126.828 3.204 . . . . 50.0 109.075 168.565 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 125.77 2.7 . . . . 25.0 114.785 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.59 161.83 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 105.252 -2.129 . . . . 25.0 105.252 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -75.88 10.45 1.84 Allowed 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 113.001 0.741 . . . . 50.0 113.001 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.85 179.32 4.94 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.498 -1.297 . . . . 50.0 107.498 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -56.79 132.48 52.4 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.713 -1.242 . . . . 75.0 108.3 170.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.45 105.77 11.96 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.308 -1.207 0 N-CA-C 103.89 -2.633 . . . . 50.0 103.89 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 CA--C 1.565 1.529 0 CA-C-O 120.902 0.382 . . . . 50.0 111.64 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -60.05 -43.4 95.41 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.043 0.925 . . . . 50.0 111.642 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -48.26 74.13 Favored 'General case' 0 C--O 1.204 -1.298 0 O-C-N 120.977 -1.077 . . . . 50.0 109.193 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.18 -39.59 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 125.248 1.592 . . . . 25.0 110.052 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.62 -41.4 72.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 50.0 111.359 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.13 86.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.285 -0.87 . . . . 25.0 112.295 174.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 6.5 mt -66.91 -43.01 84.49 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.691 -1.14 . . . . 50.0 109.452 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -58.25 -38.93 77.88 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 119.421 -0.323 . . . . 25.0 110.588 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.95 -35.73 69.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.947 -1.095 . . . . 50.0 113.664 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 m -81.34 -21.62 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 124.198 0.937 . . . . 50.0 112.52 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.61 -41.32 8.97 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 118.711 -0.661 . . . . 50.0 112.158 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.65 -177.19 21.17 Favored Glycine 0 C--O 1.255 1.409 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -60.74 -26.71 67.39 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.099 -1.236 . . . . 50.0 112.534 -173.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -13.36 28.69 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.456 0.91 . . . . 50.0 113.456 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.44 -164.47 49.31 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 119.686 -1.245 . . . . 50.0 111.894 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.405 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 49.5 p90 . . . . . 0 CA--C 1.563 1.463 0 C-N-CA 125.696 1.599 . . . . 25.0 107.729 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.183 -3.045 0 N-CA-C 116.796 1.479 . . . . 25.0 116.796 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.14 -63.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.87 -29.34 33.19 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.091 0 C-N-CA 119.615 -0.834 . . . . 75.0 113.07 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -60.42 -36.99 79.47 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.798 -1.556 . . . . 25.0 106.798 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -78.97 -57.33 3.8 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.41 -13.15 60.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.724 3.231 . . . . 50.0 119.724 -172.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.3 -24.75 46.55 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.376 -0.93 . . . . 25.0 109.627 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -107.93 -29.49 9.0 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.48 0.582 . . . . 25.0 110.388 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -110.72 -179.86 3.87 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.853 -0.612 . . . . 50.0 111.45 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.1 mm -101.17 127.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.263 1.782 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.98 132.45 56.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.838 -0.539 . . . . 25.0 111.409 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -92.94 159.91 15.13 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.065 -1.087 . . . . 50.0 108.065 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.66 -26.76 68.81 Favored 'General case' 1 C--O 1.346 6.177 0 O-C-N 120.554 -1.341 . . . . 75.0 110.136 174.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.42 -40.01 77.4 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 116.504 -3.873 . . . . 50.0 111.152 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.95 -38.87 52.46 Favored 'General case' 0 C--N 1.377 1.761 0 O-C-N 118.688 -2.508 . . . . 50.0 109.428 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.72 -29.82 68.39 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.11 0.782 . . . . 50.0 113.11 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.42 -31.5 67.78 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 124.933 1.396 . . . . 75.0 112.288 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -64.86 -26.95 68.55 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.782 -1.199 . . . . 50.0 112.611 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -76.21 -11.99 60.02 Favored 'General case' 0 C--O 1.204 -1.292 0 C-N-CA 119.865 -0.734 . . . . 50.0 111.921 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -15.05 14.77 Favored 'General case' 0 C--O 1.199 -1.6 0 CA-C-O 121.59 0.71 . . . . 50.0 111.641 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 N--CA 1.507 2.409 0 CA-C-O 123.47 1.605 . . . . 50.0 114.781 -176.522 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.673 1.702 . . . . 25.0 115.298 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -83.12 129.03 38.15 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -123.21 -171.84 2.38 Favored 'General case' 0 CA--C 1.488 -1.423 0 N-CA-C 108.829 -0.804 . . . . 50.0 108.829 -178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.0 -153.8 0.49 Allowed 'General case' 0 C--O 1.262 1.728 0 N-CA-C 105.979 -1.86 . . . . 50.0 105.979 170.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -73.35 145.23 46.1 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.636 -1.246 . . . . 75.0 107.636 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.66 124.64 34.14 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 107.421 -1.325 . . . . 25.0 107.421 -173.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.49 -1.341 0 N-CA-C 113.777 1.028 . . . . 50.0 113.777 -175.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 115.436 1.643 . . . . 50.0 115.436 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.0 -30.3 65.97 Favored 'General case' 0 C--O 1.194 -1.828 0 CA-C-N 114.44 -1.254 . . . . 50.0 110.54 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.5 -41.87 65.45 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.185 -1.413 . . . . 50.0 107.185 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.51 -43.25 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.272 0.558 . . . . 25.0 109.578 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.07 -38.74 92.39 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 121.68 0.752 . . . . 50.0 109.979 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.56 86.62 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 121.118 -0.989 . . . . 25.0 111.04 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.63 -40.64 80.21 Favored 'General case' 0 C--O 1.201 -1.454 0 N-CA-C 107.241 -1.392 . . . . 50.0 107.241 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.95 -47.97 83.18 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 118.157 -0.925 . . . . 25.0 111.768 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.33 -38.78 90.79 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 114.503 1.297 . . . . 50.0 114.503 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -81.6 -26.86 9.97 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 O-C-N 121.37 -0.831 . . . . 50.0 112.071 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.49 -24.83 17.86 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 115.652 1.723 . . . . 50.0 115.652 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 -161.66 36.4 Favored Glycine 0 C--N 1.363 2.057 0 N-CA-C 110.219 -1.152 . . . . 25.0 110.219 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -91.89 25.61 2.72 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.126 1.899 . . . . 50.0 116.126 -175.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.64 -8.7 58.78 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 113.488 0.921 . . . . 50.0 113.488 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 161.21 36.92 Favored Glycine 0 C--O 1.25 1.119 0 C-N-CA 119.782 -1.199 . . . . 50.0 115.1 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 CA--C 1.507 -0.702 0 C-N-CA 123.263 0.625 . . . . 25.0 109.621 175.519 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.188 -2.737 0 CA-C-O 125.3 2.611 . . . . 25.0 115.258 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -54.53 -47.91 70.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 O-C-N 119.583 -2.128 . . . . 25.0 112.815 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -83.05 -18.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 117.481 -1.247 . . . . 75.0 111.706 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.73 -31.2 70.1 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 124.907 1.38 . . . . 25.0 108.659 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.65 -27.93 14.57 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -115.59 -4.46 12.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 121.274 3.805 . . . . 50.0 121.274 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.54 -16.05 58.89 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 123.301 1.524 . . . . 25.0 107.458 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -120.4 161.86 20.48 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 102.233 -3.247 . . . . 25.0 102.233 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 m 61.73 -160.63 0.3 Allowed 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 123.803 0.841 . . . . 50.0 110.603 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mm -127.54 120.05 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.5 156.81 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.902 -0.59 . . . . 25.0 109.497 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.4 m -135.0 175.95 9.11 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 105.66 -1.978 . . . . 50.0 105.66 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.98 -26.75 38.88 Favored 'General case' 1 C--O 1.351 6.441 0 C-N-CA 127.378 2.271 . . . . 75.0 111.608 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -53.34 -51.49 62.24 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 117.478 -3.264 . . . . 50.0 111.811 169.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -77.29 -33.29 55.75 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.477 -1.389 . . . . 50.0 111.252 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.66 -31.65 70.87 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 123.204 0.315 . . . . 50.0 111.396 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.46 -28.65 60.19 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.197 1.184 . . . . 75.0 114.197 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -68.63 -16.86 63.98 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 116.283 -0.417 . . . . 50.0 111.799 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -94.25 5.06 52.93 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.988 0.915 . . . . 50.0 111.151 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.0 m -80.08 4.13 18.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.478 1.132 . . . . 50.0 110.109 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 . . . . . 0 CA--C 1.563 1.446 0 CA-C-O 126.751 3.167 . . . . 50.0 109.508 174.862 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.206 -1.214 0 CA-C-O 124.91 2.29 . . . . 25.0 116.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 t -121.87 127.26 75.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 113.747 -1.569 . . . . 25.0 110.098 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -67.25 97.35 0.54 Allowed 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 113.06 0.763 . . . . 50.0 113.06 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.04 -176.69 6.12 Favored 'General case' 0 CA--C 1.57 1.713 0 O-C-N 124.471 1.107 . . . . 50.0 110.324 -176.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.67 78.55 6.23 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.136 -0.938 . . . . 75.0 110.497 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.96 112.26 1.6 Allowed 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.278 0.631 . . . . 25.0 112.484 -174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-N 114.792 -1.094 . . . . 50.0 109.69 178.703 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.89 0.852 . . . . 50.0 113.266 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -67.03 -41.68 86.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.728 -0.789 . . . . 50.0 110.554 -174.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.61 -44.02 91.91 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 115.137 -0.938 . . . . 50.0 110.342 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.13 -46.54 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -64.57 -44.07 91.88 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.056 0.455 . . . . 50.0 111.421 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.97 83.18 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-O 121.582 0.706 . . . . 25.0 111.954 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.9 -44.88 94.0 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.8 -41.71 91.81 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 118.403 0.547 . . . . 25.0 110.561 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.55 -46.87 77.84 Favored 'General case' 0 C--O 1.247 0.964 0 C-N-CA 120.466 -0.494 . . . . 50.0 111.052 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.82 -36.98 34.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 C-N-CA 119.284 -0.967 . . . . 50.0 112.093 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -21.42 51.86 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 122.274 1.035 . . . . 50.0 113.044 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 85.35 176.27 50.52 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 122.228 0.905 . . . . 25.0 111.955 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.88 7.89 1.04 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 118.777 -0.63 . . . . 50.0 111.836 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' B' ' 20' ' ' GLY . 30.7 mmt180 -67.32 -32.22 73.04 Favored 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 106.12 -1.808 . . . . 50.0 106.12 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.86 148.49 9.8 Favored Glycine 0 C--O 1.202 -1.862 0 N-CA-C 117.019 1.568 . . . . 50.0 117.019 172.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 26.7 p90 . . . . . 0 C--O 1.199 -1.582 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 176.737 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.626 0 CA-C-O 124.407 2.115 . . . . 25.0 115.531 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.8 mt -60.7 -38.07 77.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 113.801 -1.2 . . . . 25.0 109.485 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.68 -33.03 43.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.48 -0.888 . . . . 75.0 111.001 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.61 -39.46 93.76 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.49 -0.756 . . . . 25.0 108.967 173.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.11 -34.75 79.13 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 122.027 0.917 . . . . 25.0 111.94 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -42.31 83.7 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.235 -0.915 . . . . 50.0 111.221 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.09 -26.62 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 115.085 1.513 . . . . 25.0 115.085 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -89.37 -10.13 47.76 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.512 -0.742 . . . . 25.0 111.584 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -122.03 -161.73 0.95 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.267 -1.012 . . . . 50.0 108.267 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.02 120.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.1 m -74.47 155.76 37.66 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.331 -0.856 . . . . 25.0 111.412 -178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 m -137.42 157.92 45.53 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.653 -1.24 . . . . 50.0 107.653 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -52.84 -38.58 61.62 Favored 'General case' 1 C--O 1.335 5.556 0 C-N-CA 124.396 1.078 . . . . 75.0 112.329 -171.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.76 -44.24 96.71 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 118.091 -2.881 . . . . 50.0 114.983 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -70.11 -38.22 75.55 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.933 -1.73 . . . . 50.0 108.296 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.92 -35.1 66.24 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.064 0.852 . . . . 50.0 112.546 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.89 -29.53 20.25 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.037 1.125 . . . . 75.0 114.037 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -64.57 -21.42 66.69 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.312 0.506 . . . . 50.0 112.294 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.11 -6.66 50.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.011 -0.366 . . . . 50.0 110.011 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.62 -5.51 45.56 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 107.91 -1.144 . . . . 50.0 107.91 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.1 t30 . . . . . 0 C--O 1.2 -1.524 0 CA-C-O 123.659 1.695 . . . . 50.0 111.749 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 122.81 1.29 . . . . 25.0 114.349 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.1 t -111.2 130.59 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 104.884 -2.265 . . . . 25.0 104.884 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -133.35 -155.34 0.67 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.374 -1.713 . . . . 50.0 106.374 -173.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.66 -166.69 1.31 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 107.08 -1.452 . . . . 50.0 107.08 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -64.33 131.83 48.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.566 -1.642 . . . . 75.0 106.566 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 mt -115.82 108.84 16.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.155 0.502 . . . . 25.0 111.7 -176.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.893 0 N-CA-C 106.711 -1.589 . . . . 50.0 106.711 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 C--O 1.235 0.327 0 N-CA-C 112.485 0.55 . . . . 50.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -68.48 -39.54 81.33 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.267 -0.895 . . . . 50.0 111.583 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.55 -39.5 88.58 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.673 -0.492 . . . . 50.0 109.673 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.45 -40.4 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.264 0.554 . . . . 25.0 110.289 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -61.8 -43.45 98.83 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.76 -0.587 . . . . 50.0 111.029 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.156 -0.34 . . . . 25.0 111.231 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.65 -44.37 94.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.257 1.027 . . . . 50.0 110.672 173.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -63.01 -41.4 99.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.919 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -63.98 -41.6 97.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.239 0.459 . . . . 50.0 112.239 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 p -72.87 -29.0 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 121.145 -0.972 . . . . 50.0 111.293 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -35.0 36.85 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.057 -0.72 . . . . 50.0 109.057 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 174.68 17.46 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 111.357 -0.697 . . . . 25.0 111.357 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.63 -18.08 61.58 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 113.187 0.81 . . . . 50.0 113.187 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -9.96 59.72 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 121.347 -0.846 . . . . 50.0 112.236 177.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.2 -178.83 49.46 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-O 119.009 -0.884 . . . . 50.0 111.428 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.211 -0.949 0 CA-C-O 122.08 0.943 . . . . 25.0 109.676 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.441 ' HA2' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 1 N--CA 1.519 4.211 0 CA-C-O 123.267 1.481 . . . . 25.0 114.708 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.79 -41.27 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 113.671 -1.264 . . . . 25.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.35 -32.83 54.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 N-CA-C 112.371 0.508 . . . . 75.0 112.371 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.441 ' OE1' ' HA2' ' A' ' 1' ' ' GLY . 36.9 mt-10 -66.65 -45.51 78.76 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -66.67 -46.11 76.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -29.29 67.22 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.183 1.549 . . . . 50.0 115.183 -174.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.24 -13.06 61.43 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 118.13 -0.938 . . . . 25.0 110.807 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -123.46 -22.27 5.09 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.532 0.605 . . . . 25.0 110.697 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -122.44 165.87 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.192 -0.603 . . . . 50.0 109.605 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -79.46 131.61 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -96.22 152.24 18.75 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.371 1.045 . . . . 25.0 108.495 171.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -140.07 160.0 40.91 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 105.131 -2.174 . . . . 50.0 105.131 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.01 -32.81 68.29 Favored 'General case' 1 C--O 1.328 5.208 0 C-N-CA 117.884 -1.526 . . . . 75.0 111.276 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.53 -44.78 95.71 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.682 -2.511 . . . . 50.0 112.229 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.98 -45.89 91.64 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 123.903 0.752 . . . . 50.0 112.517 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.26 -29.66 68.94 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 114.492 1.293 . . . . 50.0 114.492 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 114.597 1.332 . . . . 75.0 114.597 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.14 -19.56 64.82 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 120.798 -1.189 . . . . 50.0 113.352 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -98.5 -1.46 41.15 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 108.063 -1.088 . . . . 50.0 108.063 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.85 -17.41 41.02 Favored 'General case' 0 C--O 1.184 -2.373 0 CA-C-O 122.608 1.194 . . . . 50.0 109.468 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 C--O 1.208 -1.12 0 C-N-CA 126.787 2.035 . . . . 50.0 116.493 -176.16 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 123.847 1.784 . . . . 25.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.52 119.2 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 O-C-N 118.685 -2.509 . . . . 25.0 109.979 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -80.97 128.73 34.02 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.016 -1.105 . . . . 50.0 108.016 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -156.54 -155.77 0.56 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 107.148 -1.427 . . . . 50.0 107.148 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -81.08 76.59 8.02 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.522 1.153 . . . . 75.0 108.643 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.81 66.67 4.35 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.6 -1.636 . . . . 25.0 110.487 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.26 1.617 0 CA-C-N 113.808 -1.542 . . . . 50.0 109.839 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 121.273 0.558 . . . . 50.0 111.804 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -58.19 -28.35 64.7 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.391 -0.814 . . . . 50.0 111.309 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.4 -47.42 86.16 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 118.372 0.533 . . . . 50.0 111.46 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.8 -43.49 93.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.629 -1.169 . . . . 25.0 108.363 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.72 -45.42 89.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 113.814 1.042 . . . . 50.0 113.814 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -36.1 80.13 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -70.02 -41.46 74.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.396 1.093 . . . . 50.0 111.898 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.67 -38.18 89.35 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 120.631 -1.293 . . . . 25.0 111.668 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.55 -50.34 65.55 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 121.897 -0.502 . . . . 50.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.06 -35.87 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 117.929 -1.508 . . . . 50.0 112.923 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.24 -18.21 34.68 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.874 -0.787 . . . . 50.0 108.874 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 167.66 42.8 Favored Glycine 0 C--O 1.202 -1.879 0 O-C-N 120.155 -1.591 . . . . 25.0 111.644 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -68.76 -16.44 63.8 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-O 121.119 0.485 . . . . 50.0 111.347 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.55 16.67 25.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.994 -1.113 . . . . 50.0 107.994 178.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.39 -151.31 3.7 Favored Glycine 0 N--CA 1.48 1.568 0 N-CA-C 116.28 1.272 . . . . 50.0 116.28 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.563 1.445 0 CA-C-O 121.007 0.432 . . . . 25.0 111.012 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.12 0 CA-C-O 123.161 1.423 . . . . 25.0 116.351 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -52.63 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 114.641 -0.78 . . . . 25.0 110.464 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.24 -33.56 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 115.534 -0.757 . . . . 75.0 111.411 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.49 -38.08 89.77 Favored 'General case' 0 C--O 1.245 0.866 0 O-C-N 124.076 0.86 . . . . 25.0 110.451 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.62 -46.48 31.38 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 118.366 -0.826 . . . . 25.0 112.941 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.54 -16.14 27.65 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 116.916 2.191 . . . . 50.0 116.916 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -87.1 -13.68 43.52 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-N 119.074 0.852 . . . . 25.0 110.589 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -102.94 152.15 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 106.212 -1.773 . . . . 25.0 106.212 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m 47.94 -155.98 0.06 Allowed 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.412 1.07 . . . . 50.0 110.486 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -126.95 111.26 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 118.726 -0.654 . . . . 25.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.02 161.86 15.64 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-O 122.629 1.204 . . . . 25.0 110.311 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -104.2 158.19 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.868 1.433 . . . . 50.0 114.868 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.37 -28.43 69.76 Favored 'General case' 1 C--O 1.371 7.49 0 O-C-N 118.586 -2.571 . . . . 75.0 111.191 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -59.36 -41.77 90.03 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 116.239 -4.038 . . . . 50.0 110.124 174.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -70.28 -41.96 72.71 Favored 'General case' 0 C--O 1.196 -1.759 0 CA-C-N 114.64 -1.164 . . . . 50.0 109.106 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.69 -38.06 69.17 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 118.513 0.597 . . . . 50.0 110.849 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.12 -16.03 49.6 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 115.519 1.674 . . . . 75.0 115.519 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -70.21 -25.46 63.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 118.497 -0.764 . . . . 50.0 111.686 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -84.92 9.29 14.81 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 124.904 1.377 . . . . 50.0 109.182 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -141.36 -171.11 3.22 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 121.418 -0.801 . . . . 50.0 111.117 -176.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 . . . . . 0 C--N 1.352 0.693 0 CA-C-O 125.643 2.64 . . . . 50.0 110.022 171.765 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 N--CA 1.506 2.326 0 N-CA-C 115.685 1.735 . . . . 25.0 115.685 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.0 118.55 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -77.23 160.89 28.58 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.606 -0.684 . . . . 50.0 111.802 -172.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -174.68 3.2 Favored 'General case' 0 C--O 1.205 -1.277 0 N-CA-C 105.024 -2.213 . . . . 50.0 105.024 169.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -58.35 146.03 36.01 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 119.277 -0.969 . . . . 75.0 108.653 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.39 131.29 12.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.219 0.533 . . . . 25.0 109.891 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.313 -0.988 0 N-CA-C 107.088 -1.449 . . . . 50.0 107.088 -173.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 113.964 1.098 . . . . 50.0 113.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -57.04 -36.54 70.61 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.192 -0.943 . . . . 50.0 111.954 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -40.1 94.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 118.349 0.522 . . . . 50.0 111.029 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.21 -38.63 62.87 Favored 'Isoleucine or valine' 0 C--O 1.264 1.833 0 N-CA-C 107.466 -1.309 . . . . 25.0 107.466 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.62 -44.7 89.71 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.405 0.441 . . . . 50.0 109.821 177.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.61 96.87 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -45.98 90.48 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 118.608 0.64 . . . . 50.0 111.699 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -58.51 -46.1 87.44 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.723 -0.611 . . . . 25.0 112.399 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.28 -46.98 75.13 Favored 'General case' 0 CA--C 1.521 -0.155 0 O-C-N 123.86 0.725 . . . . 50.0 110.685 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.16 -31.66 45.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-O 121.41 0.624 . . . . 50.0 112.539 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.84 -35.84 14.56 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 120.89 -1.132 . . . . 50.0 113.828 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.59 -174.08 34.47 Favored Glycine 0 N--CA 1.428 -1.857 0 CA-C-O 122.524 1.069 . . . . 25.0 112.102 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -70.97 -0.18 8.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.519 1.303 . . . . 50.0 114.519 -168.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -33.99 77.15 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 120.327 -0.549 . . . . 50.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.9 160.77 36.84 Favored Glycine 0 C--O 1.193 -2.453 0 C-N-CA 120.376 -0.916 . . . . 50.0 114.116 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 p90 . . . . . 0 CA--C 1.569 1.7 0 C-N-CA 124.815 1.246 . . . . 25.0 110.272 -176.21 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.568 0 CA-C-O 125.206 2.559 . . . . 25.0 116.457 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 mt -63.38 -32.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 119.483 -2.186 . . . . 25.0 108.464 172.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.53 -36.87 76.02 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.983 0 O-C-N 121.095 -1.003 . . . . 75.0 111.005 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.64 -38.69 73.9 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -62.18 -37.67 86.16 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-O 121.75 0.786 . . . . 25.0 110.727 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.47 -41.87 72.18 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.663 -0.699 . . . . 50.0 109.675 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.1 -32.4 73.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 119.476 -0.89 . . . . 25.0 111.396 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -75.61 -7.46 54.31 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.23 -1.544 . . . . 25.0 109.028 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -116.79 -161.54 0.81 Allowed 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.718 -1.216 . . . . 50.0 107.718 172.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.2 mm -113.21 116.91 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.19 142.19 38.12 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.361 1.077 . . . . 25.0 109.53 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 m -119.9 159.28 24.97 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.184 -0.948 . . . . 50.0 109.182 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.99 -40.56 85.24 Favored 'General case' 1 C--O 1.334 5.514 0 C-N-CA 123.812 0.845 . . . . 75.0 111.984 -175.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -56.1 -40.33 73.51 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.826 -2.421 . . . . 50.0 112.551 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.3 -44.48 62.67 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 107.762 -1.199 . . . . 50.0 107.762 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.15 -30.84 66.67 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 113.801 -1.545 . . . . 50.0 111.141 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.43 -29.45 67.77 Favored 'General case' 0 C--O 1.193 -1.896 0 N-CA-C 115.341 1.608 . . . . 75.0 115.341 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.65 -19.2 62.82 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 119.519 -0.872 . . . . 50.0 111.124 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -79.43 -15.57 57.6 Favored 'General case' 0 C--O 1.206 -1.215 0 C-N-CA 118.869 -1.132 . . . . 50.0 111.06 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.51 154.88 22.43 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 122.042 0.925 . . . . 50.0 108.57 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 C--O 1.197 -1.675 0 CA-C-O 125.817 2.722 . . . . 50.0 110.686 178.351 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 124.041 1.877 . . . . 25.0 113.819 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.3 t -104.81 123.23 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 114.208 -1.36 . . . . 25.0 108.657 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -78.72 0.46 26.64 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 116.797 2.147 . . . . 50.0 116.797 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -76.49 -172.39 2.15 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.381 -1.34 . . . . 50.0 107.381 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -66.98 119.09 11.38 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.381 1.086 . . . . 75.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -84.19 125.08 31.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.437 -1.32 . . . . 25.0 107.437 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.736 0 N-CA-C 102.231 -3.248 . . . . 50.0 102.231 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.502 2.133 0 N-CA-C 113.922 1.082 . . . . 50.0 113.922 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -61.49 -43.43 98.88 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.285 -0.884 . . . . 50.0 112.013 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.63 -45.36 87.17 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.465 -1.243 . . . . 50.0 108.876 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.63 -44.74 79.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 -173.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -60.86 -46.78 89.23 Favored 'General case' 0 C--N 1.311 -1.099 0 O-C-N 121.815 -0.553 . . . . 50.0 111.298 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.48 88.99 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 122.029 -0.419 . . . . 25.0 111.823 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.28 -47.31 82.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.227 -0.897 . . . . 50.0 109.717 174.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.3 -35.8 80.2 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.979 -1.076 . . . . 25.0 110.502 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.79 -49.54 77.07 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.229 0.33 . . . . 50.0 110.847 174.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.56 -25.26 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 50.0 112.56 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -86.69 -29.79 22.19 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.014 -1.054 . . . . 50.0 112.914 177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 176.08 31.11 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 120.695 -1.253 . . . . 25.0 111.758 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.7 -16.91 62.3 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.209 -0.996 . . . . 50.0 113.542 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -20.71 66.19 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 124.205 0.941 . . . . 50.0 112.139 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 165.43 39.29 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-O 118.502 -1.166 . . . . 50.0 111.442 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.208 -1.095 0 O-C-N 124.415 0.715 . . . . 25.0 111.037 -177.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.589 0 CA-C-O 126.233 3.13 . . . . 25.0 116.386 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.18 -42.2 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 112.023 -2.088 . . . . 25.0 109.162 -177.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 p -64.07 -38.3 82.07 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.967 0 N-CA-C 108.199 -1.037 . . . . 75.0 108.199 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.83 -50.11 74.74 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 123.179 0.299 . . . . 25.0 110.915 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -69.66 -40.41 76.47 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.86 -27.15 14.42 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 119.299 3.074 . . . . 50.0 119.299 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.1 -29.69 70.06 Favored 'General case' 0 C--O 1.254 1.325 0 O-C-N 120.353 -1.467 . . . . 25.0 109.459 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -85.21 -0.84 55.91 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 122.822 1.296 . . . . 25.0 111.07 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -136.66 -162.6 1.3 Allowed 'General case' 0 C--O 1.247 0.948 0 N-CA-C 106.835 -1.543 . . . . 50.0 106.835 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -108.31 -37.58 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 121.831 0.824 . . . . 25.0 112.928 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 m 56.87 -159.94 0.23 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.932 0.893 . . . . 25.0 112.898 -176.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.9 p -155.94 160.33 40.01 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 123.149 1.452 . . . . 50.0 109.101 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.57 -28.29 69.24 Favored 'General case' 1 C--O 1.338 5.754 0 O-C-N 120.687 -1.258 . . . . 75.0 107.981 172.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.0 -41.09 91.5 Favored 'General case' 0 C--O 1.209 -1.071 1 O-C-N 114.914 -4.866 . . . . 50.0 112.892 175.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.96 -43.09 75.71 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 120.286 -1.509 . . . . 50.0 109.081 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -58.41 -33.84 70.11 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.838 0.711 . . . . 50.0 112.151 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.25 -17.83 13.47 Favored 'General case' 0 C--O 1.199 -1.587 0 N-CA-C 113.284 0.846 . . . . 75.0 113.284 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.59 -19.78 62.09 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.276 -0.869 . . . . 50.0 111.472 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.05 -9.43 48.54 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 119.417 1.008 . . . . 50.0 108.824 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -88.44 131.88 34.7 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 124.628 1.205 . . . . 50.0 113.946 -175.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--N 1.295 -1.779 0 CA-C-O 123.753 1.739 . . . . 50.0 112.109 176.685 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.517 2.923 0 CA-C-O 122.34 1.067 . . . . 25.0 112.57 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.82 140.52 36.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-N 115.199 -0.91 . . . . 25.0 110.207 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.17 124.9 38.48 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.764 0.792 . . . . 50.0 109.306 -175.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -133.27 -171.11 2.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 102.284 -3.228 . . . . 50.0 102.284 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -58.42 145.48 38.38 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.764 -0.828 . . . . 75.0 108.764 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.7 mt -116.5 100.56 7.94 Favored 'General case' 0 C--O 1.252 1.186 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.438 -1.055 0 O-C-N 124.519 1.137 . . . . 50.0 111.008 179.509 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.195 -1.783 0 N-CA-C 112.612 0.597 . . . . 50.0 112.612 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 117.606 -1.188 . . . . 50.0 109.211 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.71 -46.16 89.95 Favored 'General case' 0 C--O 1.202 -1.434 0 O-C-N 124.233 0.958 . . . . 50.0 110.587 173.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.98 -44.65 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.582 0.706 . . . . 25.0 111.269 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.57 -42.45 92.49 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 120.795 -1.191 . . . . 50.0 110.838 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.21 93.95 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 118.819 0.736 . . . . 25.0 112.22 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.56 -42.77 99.33 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 121.71 0.767 . . . . 50.0 110.601 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.69 -45.4 75.25 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.096 -0.956 . . . . 25.0 110.554 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.96 -41.22 87.26 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 115.71 1.745 . . . . 50.0 115.71 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.33 -37.0 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 122.214 1.007 . . . . 50.0 111.629 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.3 t -77.92 -38.88 44.53 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 113.686 0.995 . . . . 50.0 113.686 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -145.6 17.79 Favored Glycine 0 C--O 1.265 2.071 0 N-CA-C 109.43 -1.468 . . . . 25.0 109.43 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -95.65 4.87 52.66 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 117.658 0.729 . . . . 50.0 111.318 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.04 -20.94 60.89 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.446 1.647 . . . . 50.0 115.446 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 144.18 14.16 Favored Glycine 0 C--O 1.22 -0.753 0 O-C-N 121.182 -0.949 . . . . 50.0 113.397 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 . . . . . 0 N--CA 1.491 1.602 0 CA-C-N 118.825 1.313 . . . . 25.0 108.458 176.144 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.468 -2.904 0 CA-C-O 127.316 3.731 . . . . 25.0 112.903 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 mt -53.73 -51.97 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 110.756 -2.722 . . . . 25.0 111.784 -173.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.54 -35.18 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 O-C-N 121.584 -0.697 . . . . 75.0 111.057 -177.28 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.22 -37.56 85.85 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 117.987 -1.006 . . . . 25.0 110.107 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.75 -36.2 20.29 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.992 1.269 . . . . 25.0 110.037 -174.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.67 -17.07 10.01 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 118.337 2.718 . . . . 50.0 118.337 -167.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.62 -48.74 5.68 Favored 'General case' 0 C--O 1.206 -1.218 0 C-N-CA 119.669 -0.812 . . . . 25.0 112.172 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -72.09 -12.97 61.45 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.228 -1.545 . . . . 25.0 109.139 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -128.05 -177.8 4.28 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 107.494 -1.298 . . . . 50.0 107.494 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.3 119.59 35.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 118.656 0.662 . . . . 25.0 110.664 175.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t -86.75 166.63 15.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -144.11 152.24 40.67 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.832 0.825 . . . . 50.0 113.11 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . 24.6 mt -59.95 -29.97 68.77 Favored 'General case' 1 C--O 1.323 4.933 0 CA-C-O 122.664 1.221 . . . . 75.0 112.404 178.628 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.52 -40.88 93.48 Favored 'General case' 0 C--O 1.19 -2.063 1 O-C-N 115.493 -4.504 . . . . 50.0 116.077 172.504 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.07 -36.77 75.21 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 112.584 -2.098 . . . . 50.0 106.563 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 4.7 mt -62.26 -32.71 73.45 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.724 0.639 . . . . 50.0 112.724 -179.507 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.32 -27.08 65.56 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 122.004 -0.435 . . . . 75.0 111.706 176.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -69.71 -13.37 62.26 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 113.872 1.064 . . . . 50.0 113.872 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -91.08 2.34 56.4 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.941 0.877 . . . . 50.0 108.834 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -138.48 -84.06 0.29 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.277 -0.874 . . . . 50.0 108.981 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 N--CA 1.425 -1.692 0 CA-C-O 126.869 3.223 . . . . 50.0 114.753 175.714 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 127.088 3.328 . . . . 25.0 119.673 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.2 t -77.79 119.08 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 112.979 -1.918 . . . . 25.0 108.109 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -85.6 88.22 7.5 Favored 'General case' 0 C--O 1.199 -1.581 0 O-C-N 121.295 -0.878 . . . . 50.0 109.461 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -136.65 -153.42 0.49 Allowed 'General case' 0 CA--C 1.571 1.78 0 CA-C-N 114.781 -1.099 . . . . 50.0 108.427 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -69.89 91.95 0.68 Allowed 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.559 -1.338 . . . . 75.0 109.679 172.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.9 111.29 18.65 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.262 1.722 0 CA-C-N 115.644 -0.707 . . . . 50.0 109.455 179.102 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.5 p . . . . . 0 C--O 1.257 1.494 0 N-CA-C 112.335 0.495 . . . . 50.0 112.335 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -63.47 -43.69 96.61 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 118.114 -1.434 . . . . 50.0 113.087 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.63 -41.68 98.24 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 114.157 -1.383 . . . . 50.0 109.517 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.08 -43.36 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 -177.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.08 -41.7 99.48 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.73 -0.841 . . . . 50.0 108.73 179.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.52 98.45 Favored 'General case' 0 CA--C 1.558 1.285 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.75 -44.61 92.95 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.311 -0.852 . . . . 50.0 109.949 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.95 -38.46 82.5 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-N 119.521 1.055 . . . . 25.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.98 -41.92 77.22 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 115.187 -0.915 . . . . 50.0 110.685 -177.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.93 -32.89 15.75 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.677 0 N-CA-C 113.572 0.953 . . . . 50.0 113.572 -177.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 t -81.74 -34.78 30.32 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.383 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.1 168.58 13.54 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 114.222 0.449 . . . . 25.0 114.222 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -2.64 15.45 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 119.687 -2.067 . . . . 50.0 110.704 -177.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -3.6 58.6 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 123.967 0.792 . . . . 50.0 109.845 -176.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.91 -173.14 48.69 Favored Glycine 0 CA--C 1.49 -1.483 0 N-CA-C 107.667 -2.173 . . . . 50.0 107.667 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.497 -1.082 0 N-CA-C 115.501 1.667 . . . . 25.0 115.501 -175.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 3.881 0 CA-C-O 127.398 3.777 . . . . 25.0 113.602 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 mt -65.49 -26.44 39.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 111.36 -2.42 . . . . 25.0 106.156 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.3 m -64.38 -38.31 82.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 121.508 -0.745 . . . . 75.0 109.984 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -77.04 -28.48 54.85 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 178.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.48 -37.14 77.12 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.98 -38.41 69.72 Favored 'General case' 0 C--O 1.195 -1.789 0 C-N-CA 122.854 0.462 . . . . 50.0 111.921 178.087 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -57.13 -40.39 77.06 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.491 1.116 . . . . 25.0 112.744 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -83.83 -6.3 59.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 122.75 1.262 . . . . 25.0 110.067 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -118.98 -156.4 0.65 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.058 -0.974 . . . . 50.0 109.707 179.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.09 121.76 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 N-CA-C 102.652 -3.092 . . . . 25.0 102.652 174.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.75 140.36 29.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.021 -0.991 . . . . 25.0 110.156 -176.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.6 p -96.02 155.24 16.84 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -58.11 -33.73 69.44 Favored 'General case' 1 C--O 1.339 5.811 0 O-C-N 118.766 -2.459 . . . . 75.0 111.366 174.415 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.26 -50.67 66.69 Favored 'General case' 0 C--O 1.202 -1.416 1 O-C-N 115.643 -4.411 . . . . 50.0 110.785 174.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.23 -40.76 96.71 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 121.102 -0.999 . . . . 50.0 111.505 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -34.58 69.45 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 118.944 0.793 . . . . 50.0 111.698 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.12 -17.93 65.03 Favored 'General case' 0 CA--C 1.484 -1.578 0 N-CA-C 114.973 1.472 . . . . 75.0 114.973 179.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -15.72 62.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 120.038 -0.665 . . . . 50.0 111.932 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -87.73 -8.6 55.84 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 119.34 -0.944 . . . . 50.0 110.177 174.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.92 -148.88 0.41 Allowed 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 105.511 -2.033 . . . . 50.0 105.511 -174.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 126.998 3.285 . . . . 50.0 111.642 -179.091 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 114.904 1.446 . . . . 25.0 114.904 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -114.98 154.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -103.43 11.8 36.05 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.836 -0.62 . . . . 50.0 112.519 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.26 -156.88 0.6 Allowed 'General case' 0 C--O 1.256 1.423 0 C-N-CA 122.791 0.436 . . . . 50.0 110.297 -176.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -57.81 147.52 28.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.063 1.134 . . . . 75.0 114.063 -178.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.1 mt -126.8 99.03 5.59 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.219 1.009 . . . . 25.0 109.291 172.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.265 1.884 0 CA-C-N 114.522 -1.217 . . . . 50.0 111.818 179.861 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.376 0.88 . . . . 50.0 113.376 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -70.84 -37.38 73.15 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.175 -1.578 . . . . 50.0 111.068 -175.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.44 -43.21 67.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 106.402 -1.703 . . . . 50.0 106.402 -175.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.62 -44.42 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.585 178.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.71 -42.45 86.35 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.904 -1.518 . . . . 50.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.45 -33.22 72.24 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.87 -37.2 48.72 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 115.566 -0.743 . . . . 50.0 111.879 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.69 -43.62 96.08 Favored 'General case' 0 C--O 1.275 2.432 0 CA-C-O 117.954 -1.022 . . . . 25.0 109.353 172.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.65 -44.66 89.74 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.665 1.228 . . . . 50.0 113.762 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.21 -29.61 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 119.802 -0.759 . . . . 50.0 111.687 -178.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.4 m -77.12 -37.72 53.57 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 118.761 -1.176 . . . . 50.0 110.866 178.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.09 -178.36 18.22 Favored Glycine 0 C--O 1.209 -1.455 0 N-CA-C 109.379 -1.488 . . . . 25.0 109.379 -175.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -65.83 -22.75 66.57 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 122.229 1.014 . . . . 50.0 113.336 -171.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -20.27 65.6 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.24 -0.891 . . . . 50.0 112.746 175.239 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.53 -153.9 52.93 Favored Glycine 0 C--O 1.203 -1.783 0 CA-C-O 122.429 1.016 . . . . 50.0 111.792 177.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 C--O 1.25 1.087 0 N-CA-C 106.957 -1.498 . . . . 25.0 106.957 -175.323 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.787 0 N-CA-C 111.066 -0.813 . . . . 25.0 111.066 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt -54.24 -42.22 55.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 121.241 -1.152 . . . . 25.0 111.207 176.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.5 -40.81 90.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.142 -0.974 . . . . 75.0 111.53 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -80.05 -19.91 46.51 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 118.259 0.481 . . . . 25.0 111.384 -178.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -89.06 -34.41 16.79 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.976 1.473 . . . . 25.0 114.976 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m -116.27 -22.0 9.06 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 118.192 2.664 . . . . 50.0 118.192 -176.151 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.65 -9.85 39.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.082 -1.011 . . . . 25.0 111.329 -175.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.99 135.02 40.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 166.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 t 52.91 -144.34 0.65 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-N 116.482 -0.326 . . . . 50.0 110.75 -176.111 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.02 127.44 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 121.031 -1.043 . . . . 25.0 108.661 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.33 127.95 36.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 122.274 1.035 . . . . 25.0 112.242 -175.893 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.322 0.582 . . . . 50.0 111.268 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -61.44 -32.7 72.69 Favored 'General case' 1 C--O 1.37 7.395 0 C-N-CA 126.443 1.897 . . . . 75.0 109.902 174.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.3 -34.34 75.07 Favored 'General case' 0 C--O 1.196 -1.752 0 O-C-N 117.509 -3.244 . . . . 50.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.17 -38.66 35.34 Favored 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 107.59 -1.263 . . . . 50.0 107.59 -179.108 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.41 -27.86 62.75 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 113.968 1.099 . . . . 50.0 113.968 176.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -63.65 -27.82 69.48 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 120.957 0.408 . . . . 75.0 112.097 175.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.48 -20.95 66.17 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.092 -1.005 . . . . 50.0 109.698 -179.118 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -84.33 3.16 37.02 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 t -125.5 -149.89 0.43 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.276 1.036 . . . . 50.0 109.399 178.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 . . . . . 0 C--O 1.199 -1.572 0 CA-C-O 124.468 2.08 . . . . 50.0 115.339 -179.818 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--O 1.176 -2.767 0 CA-C-O 121.665 0.745 . . . . 25.0 112.776 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 t -124.25 129.48 74.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 122.969 1.366 . . . . 25.0 110.138 -177.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -83.98 141.89 30.89 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.689 -1.597 . . . . 50.0 106.689 175.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.487 ' HG3' ' H ' ' B' ' 5' ' ' HIS . 6.3 tp-100 -157.07 -157.93 0.72 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.536 -0.913 . . . . 50.0 108.536 -177.646 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.487 ' H ' ' HG3' ' B' ' 4' ' ' GLN . 96.2 m-70 -73.69 69.81 1.33 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.508 1.123 . . . . 75.0 109.267 169.477 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.92 101.91 1.47 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.414 -171.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 115.817 1.784 . . . . 50.0 115.817 -176.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 123.171 1.463 . . . . 50.0 112.626 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -60.61 -36.46 78.65 Favored 'General case' 0 C--O 1.201 -1.484 0 O-C-N 118.899 -2.376 . . . . 50.0 115.059 172.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.86 -43.14 97.01 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.417 1.103 . . . . 50.0 109.237 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -61.33 -47.25 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.619 0 CA-C-N 114.904 -1.044 . . . . 25.0 109.385 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.0 -44.36 97.54 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.61 0.967 . . . . 50.0 113.61 175.4 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.83 83.35 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 121.924 -0.485 . . . . 25.0 111.764 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -43.35 96.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.202 0.525 . . . . 50.0 110.397 177.229 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.59 -41.57 98.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.621 -1.172 . . . . 25.0 109.899 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.0 -47.11 81.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 118.664 -0.684 . . . . 50.0 110.356 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.65 -27.46 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 120.022 -0.671 . . . . 50.0 109.999 -169.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.24 -19.8 17.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.5 -0.75 . . . . 50.0 111.496 -175.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.6 172.11 33.32 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 120.692 -1.255 . . . . 25.0 112.12 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -69.68 -4.92 21.63 Favored 'General case' 0 C--O 1.25 1.117 0 CA-C-O 118.374 -0.822 . . . . 50.0 112.514 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.94 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.976 0.797 . . . . 50.0 112.464 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.57 169.5 40.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.595 1.184 . . . . 50.0 115.301 179.351 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 p90 . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 122.152 0.977 . . . . 25.0 108.651 -175.284 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.304 0 CA-C-O 124.145 1.969 . . . . 25.0 113.603 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.83 -42.5 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 114.279 -0.96 . . . . 25.0 110.512 -177.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.947 -0.569 . . . . 75.0 110.351 173.139 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.39 -39.62 91.35 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.244 177.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -74.79 -38.72 62.06 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.284 0.476 . . . . 25.0 112.284 -178.019 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.0 -19.99 20.37 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 116.729 2.122 . . . . 50.0 116.729 -172.111 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -80.1 0.24 32.93 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 119.215 0.916 . . . . 25.0 109.848 177.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -127.72 157.81 39.32 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 103.996 -2.594 . . . . 25.0 103.996 176.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t 49.51 -154.34 0.11 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 122.813 0.445 . . . . 50.0 110.682 -171.315 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.28 134.13 45.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.271 0 O-C-N 121.972 -0.455 . . . . 25.0 110.97 178.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.43 121.6 40.57 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.568 1.167 . . . . 25.0 109.704 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -118.06 135.75 53.99 Favored 'General case' 0 C--O 1.265 1.919 0 CA-C-N 115.219 -0.9 . . . . 50.0 112.277 -173.116 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.02 -37.6 69.4 Favored 'General case' 1 C--O 1.324 4.996 0 O-C-N 125.193 1.558 . . . . 75.0 108.545 179.57 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -54.85 -39.41 68.59 Favored 'General case' 0 C--N 1.367 1.348 1 O-C-N 116.09 -4.131 . . . . 50.0 112.406 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.82 -33.12 46.36 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 119.029 -2.294 . . . . 50.0 112.484 -178.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.79 -28.41 69.97 Favored 'General case' 0 C--O 1.259 1.595 0 O-C-N 121.895 -0.503 . . . . 50.0 110.54 173.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -56.1 -30.33 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 119.448 -0.901 . . . . 75.0 111.033 175.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -65.25 -18.91 65.69 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.696 0.628 . . . . 50.0 112.696 -176.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -96.59 1.43 51.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.691 -0.63 . . . . 50.0 112.253 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.7 t -77.29 -6.71 54.2 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.161 0.981 . . . . 50.0 108.813 172.183 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.187 -2.224 0 CA-C-O 126.15 2.881 . . . . 50.0 113.321 178.392 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 123.311 1.529 . . . . 25.0 113.803 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -59.93 146.96 9.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 113.085 -1.871 . . . . 25.0 111.946 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -81.64 -143.83 0.05 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.73 -1.123 . . . . 50.0 108.881 177.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -163.86 0.22 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-O 121.725 0.774 . . . . 50.0 110.05 171.882 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -92.19 95.29 9.65 Favored 'General case' 0 C--O 1.25 1.132 0 CA-C-N 114.464 -1.244 . . . . 75.0 111.921 -170.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.83 131.05 39.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.269 0.557 . . . . 25.0 111.525 179.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 97.4 m . . . . . 0 CA--C 1.509 -0.61 0 CA-C-N 114.746 -1.115 . . . . 50.0 112.131 -177.623 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.195 -1.798 0 N-CA-C 112.006 0.373 . . . . 50.0 112.006 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -67.58 -34.57 77.3 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 120.565 -1.334 . . . . 50.0 111.237 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.41 -44.55 74.81 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 107.23 -1.396 . . . . 50.0 107.23 175.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-O 122.047 0.927 . . . . 25.0 110.257 -176.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -68.38 -34.98 77.03 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.898 -0.592 . . . . 50.0 112.22 -178.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.53 83.02 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 123.371 1.558 . . . . 25.0 111.314 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.64 -38.7 77.26 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-N 113.831 -1.531 . . . . 50.0 110.008 -178.749 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.05 -44.29 94.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 124.698 1.249 . . . . 25.0 110.358 174.059 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.06 -33.4 75.71 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.934 1.827 . . . . 50.0 115.934 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.58 -28.98 8.7 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 C-N-CA 119.549 -0.86 . . . . 50.0 112.479 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -91.38 -28.75 17.49 Favored 'General case' 0 C--O 1.278 2.572 0 CA-C-N 118.357 0.526 . . . . 50.0 110.877 -176.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 -179.37 28.05 Favored Glycine 0 N--CA 1.474 1.198 0 N-CA-C 109.326 -1.509 . . . . 25.0 109.326 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.87 -8.59 49.81 Favored 'General case' 0 C--O 1.194 -1.852 0 N-CA-C 112.78 0.659 . . . . 50.0 112.78 178.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.08 -28.25 69.48 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 118.774 -0.631 . . . . 50.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.35 158.19 32.57 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.582 -0.607 . . . . 50.0 111.582 178.035 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 . . . . . 0 C--O 1.22 -0.49 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.938 -175.524 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.455 0 CA-C-O 124.219 2.011 . . . . 25.0 114.725 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.33 -42.45 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 O-C-N 119.962 -1.905 . . . . 25.0 111.721 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.09 -44.15 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 120.912 0.387 . . . . 75.0 110.268 178.376 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -67.52 -34.26 76.75 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.399 -0.364 . . . . 25.0 110.971 -173.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -90.93 -37.89 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -174.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.7 m -119.3 -3.25 10.54 Favored 'General case' 0 C--O 1.19 -2.031 0 N-CA-C 116.36 1.985 . . . . 50.0 116.36 -169.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -93.51 -38.32 11.46 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 119.448 1.022 . . . . 25.0 110.341 172.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -75.08 -13.18 60.46 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.33 0.586 . . . . 25.0 109.943 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -133.88 -162.81 1.28 Allowed 'General case' 0 C--O 1.261 1.659 0 N-CA-C 104.886 -2.264 . . . . 50.0 104.886 179.537 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -127.42 109.84 21.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.305 170.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -82.68 157.09 23.48 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.841 0.829 . . . . 25.0 112.7 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.1 m -83.68 158.14 21.94 Favored 'General case' 0 C--O 1.272 2.273 0 CA-C-N 114.047 -1.433 . . . . 50.0 109.586 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 -30.88 71.91 Favored 'General case' 1 C--O 1.319 4.732 0 O-C-N 120.372 -1.455 . . . . 75.0 111.201 -176.308 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -52.51 -54.97 25.54 Favored 'General case' 0 C--O 1.19 -2.037 0 O-C-N 119.443 -2.036 . . . . 50.0 111.092 169.285 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.3 -42.11 90.55 Favored 'General case' 0 C--O 1.183 -2.426 0 O-C-N 119.268 -2.145 . . . . 50.0 112.666 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.05 -28.63 64.69 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.033 -0.984 . . . . 50.0 112.914 175.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.16 -28.62 62.93 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.355 -1.338 . . . . 75.0 112.331 173.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.619 -0.676 . . . . 50.0 110.982 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.83 -11.02 54.44 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.281 0.562 . . . . 50.0 110.496 -178.01 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 t -99.0 -19.49 17.25 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 122.571 1.177 . . . . 50.0 107.836 174.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.17 -3.093 0 O-C-N 121.277 -0.89 . . . . 50.0 110.682 -170.502 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 122.523 1.154 . . . . 25.0 111.229 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.2 t -80.85 87.67 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -179.505 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -84.35 67.48 9.86 Favored 'General case' 0 C--O 1.199 -1.568 0 N-CA-C 109.261 -0.644 . . . . 50.0 109.261 -178.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -124.9 179.08 5.17 Favored 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 105.874 -1.898 . . . . 50.0 105.874 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -41.63 117.44 0.92 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.58 0.955 . . . . 75.0 113.58 174.237 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.16 84.73 6.13 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 113.974 -1.466 . . . . 25.0 113.117 -174.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.207 -1.167 0 N-CA-C 105.945 -1.872 . . . . 50.0 105.945 179.792 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.189 -2.126 0 N-CA-C 114.695 1.368 . . . . 50.0 114.695 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.28 -35.04 68.61 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 120.519 -1.363 . . . . 50.0 109.411 -175.854 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -43.9 89.98 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 119.472 -0.891 . . . . 50.0 110.043 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.27 -42.94 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.65 -0.657 . . . . 25.0 109.634 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -61.26 -49.21 78.0 Favored 'General case' 0 C--O 1.192 -1.942 0 O-C-N 121.628 -0.67 . . . . 50.0 111.271 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.46 88.1 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.608 -0.683 . . . . 25.0 110.832 178.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.377 -0.827 . . . . 50.0 111.731 178.154 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -65.7 -42.92 90.61 Favored 'General case' 0 C--O 1.199 -1.599 0 C-N-CA 124.466 1.106 . . . . 25.0 112.024 179.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.79 -40.59 83.91 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 114.127 1.158 . . . . 50.0 114.127 176.134 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.59 -31.5 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.192 0 C-N-CA 119.657 -0.817 . . . . 50.0 112.54 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -13.41 18.67 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.899 -0.72 . . . . 50.0 112.26 -173.161 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -169.71 25.46 Favored Glycine 0 CA--C 1.537 1.422 0 N-CA-C 111.561 -0.616 . . . . 25.0 111.561 175.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.22 -25.5 64.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 O-C-N 121.45 -1.03 . . . . 50.0 111.176 -176.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -64.65 -32.88 74.74 Favored 'General case' 0 CA--C 1.481 -1.683 0 O-C-N 125.638 1.836 . . . . 50.0 108.029 -173.29 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.33 -176.41 38.13 Favored Glycine 0 C--O 1.211 -1.319 0 O-C-N 124.753 1.283 . . . . 50.0 111.04 172.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.8 p90 . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 174.469 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.202 -1.88 0 CA-C-O 124.606 2.225 . . . . 25.0 113.277 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.28 -38.25 60.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 O-C-N 121.225 -1.162 . . . . 25.0 108.279 -179.164 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.32 -44.5 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 CA-C-O 118.141 -0.933 . . . . 75.0 109.956 -178.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.81 -48.45 81.75 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 119.955 -0.698 . . . . 25.0 110.493 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -71.28 -38.99 71.79 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 116.633 2.086 . . . . 25.0 116.633 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.6 t -105.43 -21.57 13.2 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 118.84 2.904 . . . . 50.0 118.84 -170.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -82.55 -15.05 53.74 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 119.038 -2.288 . . . . 25.0 109.001 -175.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -102.02 151.36 22.23 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 176.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m 55.6 -168.04 0.09 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 107.474 -1.306 . . . . 50.0 107.474 -171.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -76.78 -40.96 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.979 0 O-C-N 121.141 -0.974 . . . . 25.0 112.953 -172.514 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.6 t 66.2 80.84 0.21 Allowed 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 122.959 1.362 . . . . 25.0 111.547 -172.049 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -64.31 159.88 20.04 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.267 -0.896 . . . . 50.0 109.63 -169.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -53.87 -36.19 62.37 Favored 'General case' 1 C--O 1.348 6.243 0 CA-C-O 122.358 1.075 . . . . 75.0 110.995 178.706 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -54.5 -50.63 67.36 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 118.053 -2.904 . . . . 50.0 113.093 171.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.11 -40.3 94.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.328 -0.858 . . . . 50.0 110.373 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.05 -41.81 93.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.548 0.739 . . . . 50.0 111.945 -178.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -26.8 62.81 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-N 115.495 -0.775 . . . . 75.0 112.192 177.243 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.25 -17.78 62.47 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.943 1.247 . . . . 50.0 112.117 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -77.41 -4.34 44.82 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 121.306 -0.871 . . . . 50.0 111.638 174.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -95.37 -160.35 0.78 Allowed 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 122.095 0.95 . . . . 50.0 111.773 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 120.051 -1.655 . . . . 50.0 114.217 -174.983 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 CA--C 1.581 2.171 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.6 t -99.46 124.07 52.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 104.846 -2.279 . . . . 25.0 104.846 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -110.27 36.29 3.11 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.824 0.821 . . . . 50.0 112.229 -171.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -99.08 -157.95 0.64 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 113.752 -1.567 . . . . 50.0 109.268 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -69.34 91.14 0.53 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.259 -0.877 . . . . 75.0 111.819 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.82 124.39 21.87 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 178.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.313 -0.983 0 N-CA-C 107.967 -1.123 . . . . 50.0 107.967 176.267 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.208 -1.089 0 CA-C-O 121.357 0.599 . . . . 50.0 111.064 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -69.8 -33.41 72.33 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.595 -1.316 . . . . 50.0 109.003 -174.659 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.58 -47.25 73.35 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 108.726 -0.842 . . . . 50.0 108.726 174.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.25 -48.77 76.15 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.179 0 C-N-CA 123.084 0.554 . . . . 25.0 110.577 178.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.04 -47.97 80.72 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.166 -0.959 . . . . 50.0 111.263 179.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.99 87.1 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 122.077 -0.389 . . . . 25.0 110.502 -178.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -37.4 85.96 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 123.786 0.679 . . . . 50.0 110.129 -178.661 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.37 -43.11 86.84 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.763 1.289 . . . . 25.0 110.865 176.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.37 -39.14 85.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.687 0.995 . . . . 50.0 113.687 179.162 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -79.68 -34.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.99 -1.084 . . . . 50.0 109.631 -175.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.35 -32.33 24.3 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.91 -1.744 . . . . 50.0 110.783 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.66 -174.88 15.54 Favored Glycine 0 C--O 1.211 -1.313 0 CA-C-O 122.501 1.056 . . . . 25.0 112.425 177.028 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -66.43 -27.8 68.12 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 121.902 0.858 . . . . 50.0 111.527 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.49 48.66 1.68 Allowed 'General case' 0 C--O 1.189 -2.106 0 CA-C-N 114.521 -1.218 . . . . 50.0 109.307 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.63 -176.96 1.67 Allowed Glycine 0 CA--C 1.551 2.317 0 N-CA-C 119.826 2.69 . . . . 50.0 119.826 -171.173 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 p90 . . . . . 0 N--CA 1.437 -1.123 0 CA-C-N 112.362 -1.919 . . . . 25.0 114.284 -179.771 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.423 0 N-CA-C 116.939 1.536 . . . . 25.0 116.939 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.0 mt -69.2 -39.57 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.174 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 174.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.86 -40.27 84.66 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-N 115.757 -0.656 . . . . 75.0 111.522 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.88 -26.44 61.44 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -177.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -83.96 -44.93 13.7 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 -23.1 11.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 118.071 2.619 . . . . 50.0 118.071 -170.405 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -81.18 -3.24 51.57 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 118.307 -1.357 . . . . 25.0 112.825 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -112.65 147.78 36.02 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 103.572 -2.751 . . . . 25.0 103.572 171.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t 56.3 -172.23 0.07 Allowed 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 122.127 0.965 . . . . 50.0 108.946 -168.196 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.7 mm -92.1 125.8 44.72 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 O-C-N 120.867 -1.146 . . . . 25.0 111.969 -172.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.31 153.94 18.27 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 121.821 -0.549 . . . . 25.0 109.76 -178.634 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -150.65 158.47 44.19 Favored 'General case' 0 C--O 1.198 -1.62 0 O-C-N 124.111 0.882 . . . . 50.0 111.298 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.46 -31.87 62.32 Favored 'General case' 1 C--O 1.306 4.043 0 CA-C-O 122.874 1.321 . . . . 75.0 109.085 176.537 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -51.79 -52.27 50.23 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 117.792 -3.067 . . . . 50.0 113.66 171.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.05 -39.31 83.05 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.876 -1.14 . . . . 50.0 112.202 174.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.37 -27.54 62.39 Favored 'General case' 0 C--O 1.263 1.796 0 N-CA-C 115.506 1.669 . . . . 50.0 115.506 179.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -60.84 -23.74 65.36 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 114.988 1.477 . . . . 75.0 114.988 172.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.11 -15.63 63.84 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-N 115.592 -0.731 . . . . 50.0 111.516 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -105.95 5.55 30.58 Favored 'General case' 0 C--O 1.193 -1.903 0 CA-C-O 122.422 1.106 . . . . 50.0 111.736 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.3 t -103.55 -35.29 8.36 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 122.218 1.009 . . . . 50.0 109.772 175.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.197 -1.695 0 CA-C-O 127.747 3.641 . . . . 50.0 116.354 -175.143 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.513 2.704 0 N-CA-C 115.74 1.756 . . . . 25.0 115.74 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -125.21 131.55 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 CA-C-N 114.139 -1.391 . . . . 25.0 108.145 -173.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -94.57 -104.25 0.14 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.814 -1.18 . . . . 50.0 107.814 174.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 54.85 -139.02 1.04 Allowed 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.108 0.781 . . . . 50.0 113.108 176.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -107.83 73.83 0.92 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.468 1.031 . . . . 75.0 109.351 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.14 129.96 43.24 Favored 'General case' 0 C--O 1.269 2.097 0 N-CA-C 105.419 -2.067 . . . . 25.0 105.419 -179.146 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.293 -1.882 0 N-CA-C 106.411 -1.7 . . . . 50.0 106.411 -174.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 123.248 1.499 . . . . 50.0 110.852 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -68.67 -39.49 80.58 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 122.29 1.043 . . . . 50.0 111.495 179.072 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.54 -40.81 69.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 119.276 -0.97 . . . . 50.0 110.824 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.37 -44.17 91.9 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-O 119.432 -0.318 . . . . 25.0 111.728 173.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.31 -41.75 97.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 122.393 1.092 . . . . 50.0 112.096 178.091 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.73 81.82 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 114.484 -1.234 . . . . 25.0 112.661 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -40.2 74.63 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.018 -0.734 . . . . 50.0 109.018 -179.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.458 ' CZ ' ' HA ' ' B' ' 21' ' ' GLU . 79.9 t80 -61.24 -39.44 90.32 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.17 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.94 -42.03 85.97 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 115.81 1.781 . . . . 50.0 115.81 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 m -77.27 -26.74 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.037 -1.039 . . . . 50.0 113.039 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.49 -39.57 14.09 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.549 1.166 . . . . 50.0 110.54 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.07 179.74 15.88 Favored Glycine 0 C--O 1.211 -1.319 0 N-CA-C 110.581 -1.008 . . . . 25.0 110.581 175.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.458 ' HA ' ' CZ ' ' B' ' 16' ' ' TYR . 96.5 mt-10 -69.98 -1.5 9.89 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 121.75 -0.853 . . . . 50.0 111.723 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.63 -10.78 59.72 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 116.066 -0.516 . . . . 50.0 110.185 -176.429 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -171.05 31.65 Favored Glycine 0 C--O 1.253 1.303 0 CA-C-O 117.496 -1.724 . . . . 50.0 109.521 178.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.7 p90 . . . . . 0 N--CA 1.481 1.109 0 CA-C-N 119.633 1.716 . . . . 25.0 107.33 -177.718 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 116.359 1.304 . . . . 25.0 116.359 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.1 mm -53.88 -43.05 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 -176.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.8 -46.57 79.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.946 -1.096 . . . . 75.0 111.316 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.75 -42.67 90.66 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 122.174 -0.329 . . . . 25.0 111.3 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -75.6 -38.77 58.78 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.92 -51.24 3.2 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.614 1.197 . . . . 50.0 113.958 -175.097 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.02 -18.48 53.49 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 118.467 2.765 . . . . 25.0 118.467 -171.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -63.72 -17.58 63.14 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.925 -1.109 . . . . 25.0 112.224 -179.019 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 t -145.91 -169.32 3.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 104.802 -2.296 . . . . 50.0 104.802 178.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.33 115.52 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 106.328 -1.73 . . . . 25.0 106.328 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -92.88 148.2 22.21 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-N 113.097 -1.865 . . . . 25.0 108.773 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -122.14 156.2 34.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 124.26 1.981 . . . . 50.0 112.377 -171.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.78 -31.05 71.94 Favored 'General case' 1 C--O 1.332 5.42 0 CA-C-N 114.307 -1.315 . . . . 75.0 108.091 -178.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.22 -50.08 74.0 Favored 'General case' 0 CA--C 1.481 -1.676 0 O-C-N 120.043 -1.661 . . . . 50.0 112.535 173.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -66.48 -35.75 81.03 Favored 'General case' 0 C--O 1.194 -1.853 0 CA-C-N 113.271 -1.786 . . . . 50.0 111.074 -179.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -58.23 -34.14 70.12 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.766 0.666 . . . . 50.0 111.803 177.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.61 -33.68 55.81 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.39 0.885 . . . . 75.0 113.39 175.064 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -69.81 -7.23 38.11 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 121.944 -0.473 . . . . 50.0 111.911 -177.014 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -104.75 10.56 34.59 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 121.467 0.651 . . . . 50.0 110.016 -178.032 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -129.37 170.88 13.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 105.47 -2.048 . . . . 50.0 105.47 178.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 . . . . . 0 C--O 1.205 -1.249 0 N-CA-C 108.603 -0.888 . . . . 50.0 108.603 173.827 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 116.002 1.852 . . . . 25.0 116.002 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.02 136.54 55.29 Favored 'Isoleucine or valine' 0 C--O 1.264 1.836 0 CA-C-N 113.383 -1.735 . . . . 25.0 107.415 175.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -93.6 104.47 16.58 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.047 -1.094 . . . . 50.0 108.047 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.78 -158.22 0.84 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 108.861 -0.792 . . . . 50.0 108.861 -178.475 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -83.31 76.08 9.92 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 107.124 -1.435 . . . . 75.0 107.124 179.11 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.19 106.81 1.76 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.471 -0.786 . . . . 25.0 109.184 -177.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.257 1.474 0 CA-C-O 122.97 1.367 . . . . 50.0 110.242 176.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.039 0.447 . . . . 50.0 111.061 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -62.08 -30.88 71.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.763 -1.113 . . . . 50.0 113.853 176.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.94 -42.19 85.72 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 123.794 0.684 . . . . 50.0 110.213 177.119 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -64.94 -42.3 94.43 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 C-N-CA 123.146 0.578 . . . . 25.0 109.583 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -69.58 -39.23 77.46 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 124.444 1.09 . . . . 50.0 110.526 -179.253 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.03 -35.25 79.48 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 118.341 -1.344 . . . . 25.0 109.682 176.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -42.17 98.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 122.115 -0.366 . . . . 50.0 111.15 174.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.18 -41.04 92.05 Favored 'General case' 0 N--CA 1.416 -2.17 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 175.366 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.28 -38.98 91.93 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 115.064 -0.971 . . . . 50.0 113.207 177.199 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.45 -45.58 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 118.684 0.675 . . . . 50.0 111.351 176.633 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -16.51 45.5 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 113.622 0.971 . . . . 50.0 113.622 -171.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.86 -173.48 43.37 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 110.369 -1.092 . . . . 25.0 110.369 176.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.86 -4.52 13.01 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 113.98 1.104 . . . . 50.0 113.98 -179.196 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -65.2 -27.39 68.65 Favored 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 109.61 -0.515 . . . . 50.0 109.61 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.86 -176.84 10.77 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 120.47 -0.871 . . . . 50.0 113.754 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 p90 . . . . . 0 C--N 1.315 -0.931 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 179.193 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -1.238 0 CA-C-O 123.866 1.814 . . . . 25.0 112.108 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.13 -37.74 80.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.72 -33.78 63.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 121.501 -0.75 . . . . 75.0 109.805 177.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -65.5 -43.45 90.12 Favored 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 118.244 -1.383 . . . . 25.0 109.405 175.109 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.46 -42.45 96.2 Favored 'General case' 0 C--O 1.182 -2.453 0 CA-C-O 117.653 -1.165 . . . . 25.0 109.037 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.59 -27.43 63.13 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.731 1.151 . . . . 50.0 110.888 -177.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.03 -44.89 79.09 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 121.539 -0.726 . . . . 25.0 110.91 176.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -91.02 -24.57 20.03 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-O 118.409 -0.805 . . . . 25.0 112.773 -175.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -133.34 164.3 27.42 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.231 0.957 . . . . 50.0 112.929 -177.39 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 HG23 HD21 ' B' ' 3' ' ' ASN . 27.0 mm -64.51 136.55 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 120.348 -0.541 . . . . 25.0 111.939 -178.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -136.14 157.46 46.78 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 122.158 0.98 . . . . 25.0 111.061 173.529 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.7 p -94.42 169.62 10.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 116.906 2.187 . . . . 50.0 116.906 -168.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.35 -34.17 72.04 Favored 'General case' 1 C--O 1.35 6.357 0 O-C-N 119.254 -2.154 . . . . 75.0 111.403 168.389 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.89 -40.17 94.68 Favored 'General case' 0 C--O 1.198 -1.611 0 O-C-N 119.234 -2.167 . . . . 50.0 111.108 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -71.34 -42.02 69.06 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 114.704 -1.134 . . . . 50.0 109.592 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.76 -38.98 67.87 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 116.107 -0.497 . . . . 50.0 110.83 177.333 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.77 -26.73 65.95 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 113.127 0.788 . . . . 75.0 113.127 -176.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.98 -15.57 60.13 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 118.807 -0.616 . . . . 50.0 110.701 -173.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -70.25 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.222 0.919 . . . . 50.0 109.679 171.294 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.8 m -89.18 142.7 27.42 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 106.416 -1.698 . . . . 50.0 106.416 177.03 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 C--O 1.197 -1.693 0 CA-C-O 125.812 2.72 . . . . 50.0 112.575 -178.542 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 C--O 1.194 -1.837 0 CA-C-O 124.901 2.286 . . . . 25.0 114.944 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.23 136.6 26.2 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 CA-C-N 113.133 -1.849 . . . . 25.0 108.52 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.423 HD21 HG23 ' A' ' 10' ' ' ILE . 14.7 m120 -76.65 68.63 2.94 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 122.441 1.115 . . . . 50.0 113.552 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -126.76 7.64 6.81 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.75 -1.114 . . . . 50.0 110.431 -176.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 p80 35.69 64.35 0.49 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 113.503 0.927 . . . . 75.0 113.503 177.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.95 138.49 50.07 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 103.226 -2.879 . . . . 25.0 103.226 177.116 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' B' ' 11' ' ' LEU . 13.9 t . . . . . 0 C--O 1.254 1.307 0 N-CA-C 106.73 -1.582 . . . . 50.0 106.73 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--O 1.21 -1.013 0 CA-C-O 120.632 0.253 . . . . 50.0 110.532 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -71.15 -31.5 67.78 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.486 -2.009 . . . . 50.0 111.969 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 7' ' ' CYS . 3.3 tm? -70.75 -35.64 72.75 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.652 -1.61 . . . . 50.0 106.652 178.194 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.73 -40.41 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.67 -37.71 85.31 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 121.314 0.578 . . . . 50.0 112.414 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.99 96.6 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 178.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 tp -61.13 -39.7 91.0 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.669 -0.696 . . . . 50.0 109.743 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.55 -42.21 98.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.456 0.646 . . . . 25.0 110.768 178.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.2 -43.32 99.06 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 122.69 1.233 . . . . 50.0 114.102 179.139 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 m -79.14 -26.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 O-C-N 120.907 -1.121 . . . . 50.0 113.073 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 -25.64 30.31 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 114.18 1.178 . . . . 50.0 114.18 176.697 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.71 169.56 34.01 Favored Glycine 0 CA--C 1.499 -0.937 0 N-CA-C 107.54 -2.224 . . . . 25.0 107.54 -177.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -63.38 -2.77 1.63 Allowed 'General case' 0 CA--C 1.572 1.826 0 CA-C-N 113.878 -1.161 . . . . 50.0 113.373 -177.411 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -23.53 61.04 Favored 'General case' 0 C--O 1.196 -1.737 0 O-C-N 123.945 0.778 . . . . 50.0 110.84 177.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.37 -170.88 41.35 Favored Glycine 0 C--O 1.181 -3.188 0 N-CA-C 109.594 -1.403 . . . . 50.0 109.594 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 116.519 2.044 . . . . 25.0 116.519 -168.958 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.809 0 CA-C-O 124.165 1.981 . . . . 25.0 108.985 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 19' ' ' TYR . 40.2 mt -51.99 -55.3 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 111.808 -2.196 . . . . 25.0 112.913 -175.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 m -73.53 -25.92 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 O-C-N 120.157 -1.589 . . . . 75.0 111.6 -176.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -69.41 -40.33 77.36 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.529 -0.732 . . . . 25.0 109.428 -177.144 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -74.34 -50.58 18.12 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 114.332 -1.304 . . . . 25.0 111.934 178.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.1 m -81.49 -16.7 51.06 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 115.288 1.588 . . . . 50.0 115.288 -172.264 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.98 -12.56 60.04 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 120.697 -1.252 . . . . 25.0 111.98 179.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 t -118.18 -7.88 10.72 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.714 1.245 . . . . 25.0 111.48 -178.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -128.95 176.53 7.8 Favored 'General case' 0 CA--C 1.484 -1.567 0 N-CA-C 104.785 -2.302 . . . . 50.0 104.785 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.29 109.92 30.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.7 m -93.72 107.64 19.49 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.142 -1.058 . . . . 25.0 108.142 -179.128 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -60.78 154.42 21.87 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.196 -0.911 . . . . 50.0 110.882 169.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' H ' ' N ' ' B' ' 1' ' ' PHE . 8.5 mp -58.05 -31.25 66.86 Favored 'General case' 0 C--O 1.301 3.765 0 O-C-N 121.435 -0.79 . . . . 75.0 109.571 -177.729 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -55.73 -37.97 69.14 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 117.75 -3.094 . . . . 50.0 113.383 174.355 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -80.74 -38.85 27.96 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 113.673 -1.603 . . . . 50.0 109.333 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.78 -26.4 65.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 124.268 0.98 . . . . 50.0 110.303 177.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.92 -25.72 57.91 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.387 -0.821 . . . . 75.0 111.138 174.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -64.2 -22.8 67.08 Favored 'General case' 0 C--O 1.191 -2.025 0 CA-C-N 118.933 0.788 . . . . 50.0 112.58 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CD1' HG12 ' A' ' 2' ' ' ILE . 46.0 m-85 -89.44 -8.38 53.11 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 121.348 -0.845 . . . . 50.0 111.236 -179.356 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.5 m -98.83 -13.64 20.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.661 -1.154 . . . . 50.0 110.265 174.212 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.209 -1.05 0 CA-C-O 124.471 2.081 . . . . 50.0 112.233 -175.076 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.509 ' N ' ' H ' ' A' ' 13' ' ' LEU . 5.3 m-85 . . . . . 0 C--O 1.184 -2.361 0 CA-C-O 123.098 1.428 . . . . 25.0 113.573 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.43 131.5 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.122 0 N-CA-C 107.72 -1.215 . . . . 25.0 107.72 -177.259 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -148.4 -152.71 0.45 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 107.129 -1.434 . . . . 50.0 107.129 179.14 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -91.95 -179.35 5.27 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 118.693 0.679 . . . . 50.0 110.318 169.347 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -63.57 -50.55 69.04 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.267 1.21 . . . . 75.0 114.267 -176.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.7 mt 63.27 -174.81 0.15 Allowed 'General case' 0 C--O 1.198 -1.618 0 O-C-N 124.989 1.431 . . . . 25.0 108.852 -171.297 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.474 -1.95 0 O-C-N 121.07 -1.018 . . . . 50.0 109.905 -174.147 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 114.088 1.144 . . . . 50.0 114.088 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -57.26 -31.21 65.34 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.69 0.626 . . . . 50.0 112.69 175.011 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -75.75 -44.07 43.54 Favored 'General case' 0 C--O 1.247 0.957 0 N-CA-C 104.701 -2.333 . . . . 50.0 104.701 -175.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.5 -37.26 77.4 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 176.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.7 -39.58 84.39 Favored 'General case' 0 C--O 1.184 -2.383 0 O-C-N 120.456 -1.403 . . . . 50.0 110.248 177.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.79 92.51 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 177.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 tp -66.45 -39.47 88.89 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.334 -0.841 . . . . 50.0 110.372 -178.588 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.045 0.938 . . . . 25.0 111.894 173.008 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.63 -40.6 95.45 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 113.432 0.901 . . . . 50.0 113.432 179.157 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -81.51 -29.24 10.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.973 0 C-N-CA 118.61 -1.236 . . . . 50.0 112.029 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.7 -33.2 31.29 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 119.077 0.853 . . . . 50.0 112.994 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.62 -171.28 52.68 Favored Glycine 0 C--O 1.204 -1.763 0 N-CA-C 111.16 -0.776 . . . . 25.0 111.16 -169.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.93 -1.59 2.11 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.27 1.582 . . . . 50.0 115.27 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -12.24 60.21 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.574 1.694 . . . . 50.0 115.574 -175.636 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 172.08 45.1 Favored Glycine 0 C--N 1.293 -1.837 0 N-CA-C 108.679 -1.768 . . . . 50.0 108.679 172.462 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 118.946 -0.549 . . . . 25.0 110.444 -172.186 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.904 0 CA-C-O 123.563 1.646 . . . . 25.0 115.882 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.88 -32.93 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 119.387 -2.243 . . . . 25.0 108.492 178.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.1 -31.93 52.15 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.216 0 O-C-N 121.262 -0.899 . . . . 75.0 111.049 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.33 -36.55 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.643 -0.66 . . . . 25.0 110.245 176.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -61.12 -39.48 90.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.451 170.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -34.91 76.98 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.93 -1.106 . . . . 50.0 110.495 179.647 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -70.16 -41.67 73.52 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.39 -0.818 . . . . 25.0 111.862 179.614 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.61 -14.07 61.53 Favored 'General case' 0 C--N 1.308 -1.199 0 O-C-N 123.686 0.616 . . . . 25.0 111.852 179.451 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -118.83 -141.58 0.36 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 102.416 -3.179 . . . . 50.0 102.416 179.692 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -125.37 124.81 67.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 103.515 -2.772 . . . . 25.0 103.515 175.164 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' HB2' HD22 ' B' ' 3' ' ' ASN . 22.5 m -72.35 166.88 21.62 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.025 0.917 . . . . 25.0 111.85 -173.71 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -133.34 155.6 49.15 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.855 -1.153 . . . . 50.0 108.169 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.48 -36.83 85.04 Favored 'General case' 1 C--O 1.325 5.054 0 O-C-N 119.006 -2.309 . . . . 75.0 111.126 -177.403 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.93 -40.25 97.05 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 117.941 -2.974 . . . . 50.0 113.11 -179.565 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -64.43 -44.82 90.0 Favored 'General case' 0 C--N 1.377 1.786 0 CA-C-N 115.194 -0.912 . . . . 50.0 109.98 174.013 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.494 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 3.4 mp -55.95 -36.41 67.75 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 114.731 1.382 . . . . 50.0 114.731 -179.024 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.78 -27.95 53.62 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.293 1.22 . . . . 75.0 114.293 172.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -75.76 -14.39 60.32 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 123.117 1.437 . . . . 50.0 110.921 -176.107 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 11.2 m-85 -89.23 -1.76 58.21 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.281 -0.887 . . . . 50.0 109.32 178.469 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.15 2.3 12.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.438 -0.801 . . . . 50.0 111.019 176.421 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 . . . . . 0 CA--C 1.559 1.316 0 CA-C-O 125.418 2.532 . . . . 50.0 111.481 -169.12 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 125.822 2.725 . . . . 25.0 113.251 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 69.8 t -104.83 125.2 59.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 119.436 -2.04 . . . . 25.0 107.251 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.48 HD22 ' HB2' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -126.66 129.19 47.98 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.408 0.623 . . . . 50.0 111.111 -176.718 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -127.67 -146.64 0.33 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.737 -0.665 . . . . 50.0 109.755 176.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.14 79.61 7.76 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 106.591 -1.633 . . . . 75.0 106.591 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.38 124.32 23.19 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 -178.194 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.677 1 N-CA-C 99.32 -4.326 . . . . 50.0 99.32 178.33 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 122.259 1.028 . . . . 50.0 110.662 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -60.67 -39.02 86.88 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 120.451 -1.406 . . . . 50.0 112.572 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.82 -35.9 77.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.824 -0.751 . . . . 50.0 111.461 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.86 -43.94 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.272 1.034 . . . . 25.0 111.808 177.539 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.11 -47.8 82.98 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.276 -1.379 . . . . 50.0 107.276 177.44 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.16 86.72 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.891 0.769 . . . . 25.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.28 -41.8 85.16 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 119.902 -0.719 . . . . 50.0 111.695 175.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.67 -47.99 78.61 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 118.263 -0.875 . . . . 25.0 112.436 172.43 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.1 -39.35 86.72 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 124.011 0.82 . . . . 50.0 111.358 -177.438 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -85.88 -31.08 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 N-CA-C 114.321 1.23 . . . . 50.0 114.321 -176.585 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -104.66 -31.29 9.45 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 121.312 -0.867 . . . . 50.0 112.753 -179.148 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.81 -178.98 35.28 Favored Glycine 0 CA--C 1.555 2.584 0 N-CA-C 108.464 -1.855 . . . . 25.0 108.464 -168.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.79 8.98 1.25 Allowed 'General case' 0 CA--C 1.57 1.74 0 CA-C-N 118.331 1.065 . . . . 50.0 111.906 176.122 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -24.43 46.07 Favored 'General case' 0 C--O 1.194 -1.852 0 O-C-N 121.461 -0.775 . . . . 50.0 110.221 174.12 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.14 -122.76 4.93 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-O 123.551 1.64 . . . . 50.0 109.675 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.539 0.533 0 O-C-N 120.242 -1.74 . . . . 25.0 114.257 -170.611 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.394 0 CA-C-O 125.513 2.73 . . . . 25.0 117.277 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.47 -38.5 81.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 119.295 -2.297 . . . . 25.0 111.298 -176.428 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -73.49 -40.52 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 108.139 -1.06 . . . . 75.0 108.139 -175.036 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.147 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -62.93 -41.48 99.49 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 118.409 0.549 . . . . 25.0 109.819 178.524 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -29.88 70.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 120.547 -1.345 . . . . 50.0 112.134 178.827 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -72.42 -57.72 3.96 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -74.39 -24.36 59.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.456 -1.402 . . . . 25.0 111.895 -170.042 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -132.78 -133.56 0.18 Allowed 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 117.889 -1.053 . . . . 50.0 111.965 -176.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.7 mm -110.79 -55.49 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 123.876 0.735 . . . . 25.0 111.626 -174.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 55.61 179.5 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 122.979 1.371 . . . . 25.0 111.799 -174.59 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -136.47 151.56 49.59 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.655 -1.903 . . . . 50.0 115.535 -176.25 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.04 -32.67 72.29 Favored 'General case' 1 C--O 1.358 6.8 0 CA-C-O 122.737 1.255 . . . . 75.0 110.76 176.353 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.33 -33.54 59.15 Favored 'General case' 0 C--O 1.205 -1.272 1 O-C-N 115.514 -4.491 . . . . 50.0 115.204 170.603 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.52 -41.36 32.5 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 119.929 -1.732 . . . . 50.0 106.757 177.429 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.29 -20.79 45.56 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 124.693 1.245 . . . . 50.0 111.078 -179.148 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.83 -27.47 42.29 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 119.638 1.108 . . . . 75.0 111.95 174.096 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -61.38 -25.07 66.93 Favored 'General case' 0 C--O 1.204 -1.309 0 O-C-N 121.51 -0.744 . . . . 50.0 112.386 -179.532 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -84.88 1.82 45.4 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.489 0.922 . . . . 50.0 113.489 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.57 178.36 7.16 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 121.243 -0.911 . . . . 50.0 111.733 -175.377 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 124.631 2.158 . . . . 50.0 112.783 171.334 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 118.224 2.675 . . . . 25.0 118.224 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.16 120.03 23.98 Favored 'Isoleucine or valine' 0 C--O 1.26 1.63 0 N-CA-C 103.646 -2.724 . . . . 25.0 103.646 168.388 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -128.9 162.95 26.35 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 111.955 0.354 . . . . 50.0 111.955 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -131.59 -174.07 3.3 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 104.885 -2.265 . . . . 50.0 104.885 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -58.62 131.85 52.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.968 0.804 . . . . 75.0 112.653 177.185 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -126.0 125.0 41.95 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.863 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.206 -1.214 0 CA-C-O 122.372 1.082 . . . . 50.0 112.381 -177.981 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 114.123 1.157 . . . . 50.0 114.123 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -66.6 -26.35 67.05 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.71 1.004 . . . . 50.0 113.71 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.67 -45.67 82.03 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 105.055 -2.202 . . . . 50.0 105.055 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -63.78 -46.27 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.097 0.873 . . . . 25.0 110.104 177.869 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.85 -39.95 72.19 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.435 -1.269 . . . . 50.0 109.619 176.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.65 77.21 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 119.298 0.954 . . . . 25.0 111.572 -177.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -45.95 86.81 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 115.777 -0.647 . . . . 50.0 110.146 176.5 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -62.47 -41.08 98.52 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.115 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.0 -41.71 90.7 Favored 'General case' 0 C--O 1.199 -1.559 0 N-CA-C 114.712 1.375 . . . . 50.0 114.712 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -80.25 -30.71 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 C-N-CA 118.538 -1.265 . . . . 50.0 112.684 -174.707 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -82.89 -38.59 22.7 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 118.721 -0.657 . . . . 50.0 110.79 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.1 174.77 14.2 Favored Glycine 0 CA--C 1.489 -1.552 0 CA-C-O 117.4 -1.778 . . . . 25.0 113.199 179.394 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.26 -14.59 63.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.636 1.718 . . . . 50.0 111.877 -176.658 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -15.99 63.37 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 113.57 -1.65 . . . . 50.0 113.031 -179.667 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.02 -167.78 54.7 Favored Glycine 0 C--O 1.193 -2.464 0 CA-C-O 122.185 0.88 . . . . 50.0 113.537 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.216 -0.661 0 CA-C-O 122.257 1.027 . . . . 25.0 108.363 -174.388 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.179 -3.29 0 N-CA-C 119.48 2.552 . . . . 25.0 119.48 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -56.66 -47.35 82.47 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.825 0 O-C-N 120.071 -1.841 . . . . 25.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.07 -35.08 70.31 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 119.919 -1.738 . . . . 75.0 109.373 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.29 -45.06 67.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -178.497 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -69.88 -36.61 75.59 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 117.936 -1.031 . . . . 25.0 111.1 -175.033 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.22 -13.01 11.78 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 117.983 2.586 . . . . 50.0 117.983 -171.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.38 -17.9 60.09 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.08 -1.013 . . . . 25.0 111.265 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 t -73.6 -5.44 40.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.367 1.467 . . . . 25.0 112.717 -175.83 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -149.75 -179.96 7.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.926 1.29 . . . . 50.0 110.447 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -77.3 99.87 2.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 175.005 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -75.86 113.91 13.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.067 -178.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -79.12 157.61 27.91 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.856 -1.164 . . . . 50.0 107.856 -169.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.45 -36.7 69.34 Favored 'General case' 0 C--O 1.301 3.776 0 C-N-CA 119.537 -0.865 . . . . 75.0 109.454 171.241 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.41 ' H ' HD12 ' A' ' 13' ' ' LEU . 19.0 t80 -64.81 -37.51 87.86 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 119.008 -2.307 . . . . 50.0 112.427 -178.04 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -72.28 -43.55 64.09 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 114.297 -1.319 . . . . 50.0 109.58 177.501 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.47 -30.12 70.4 Favored 'General case' 0 C--O 1.182 -2.471 0 O-C-N 121.292 -0.88 . . . . 50.0 112.207 178.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -61.92 -22.72 65.84 Favored 'General case' 0 C--O 1.184 -2.344 0 N-CA-C 113.178 0.807 . . . . 75.0 113.178 174.524 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -78.86 -3.41 44.52 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 119.127 -2.233 . . . . 50.0 113.728 178.01 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -102.35 -9.78 20.04 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.641 1.21 . . . . 50.0 109.561 175.752 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.1 t -83.54 146.76 28.16 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 114.811 -1.086 . . . . 50.0 109.714 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--O 1.209 -1.068 0 CA-C-O 125.437 2.541 . . . . 50.0 110.467 -178.888 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 123.154 1.454 . . . . 25.0 114.545 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.7 t -78.42 88.4 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 O-C-N 119.688 -1.882 . . . . 25.0 112.469 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -77.01 18.62 0.35 Allowed 'General case' 0 C--O 1.19 -2.051 0 CA-C-N 114.751 -1.113 . . . . 50.0 113.178 174.69 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -111.85 -4.92 14.45 Favored 'General case' 0 N--CA 1.412 -2.327 0 C-N-CA 122.643 0.377 . . . . 50.0 111.43 178.284 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.96 17.03 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 121.46 3.874 . . . . 75.0 121.46 174.859 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.65 147.36 22.76 Favored 'General case' 0 C--O 1.259 1.568 0 CA-C-O 123.241 1.496 . . . . 25.0 111.566 174.545 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 CA--C 1.556 1.177 0 CA-C-N 113.298 -1.774 . . . . 50.0 113.436 -174.7 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 112.575 0.583 . . . . 50.0 112.575 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -68.86 -35.34 76.8 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 115.878 1.807 . . . . 50.0 115.878 -175.138 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.85 -38.36 90.73 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 118.035 0.38 . . . . 50.0 111.184 173.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 t -66.26 -41.61 89.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 176.635 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -67.43 -36.77 81.87 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.21 -0.996 . . . . 50.0 111.209 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.85 80.74 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.57 -44.73 85.53 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.701 -0.681 . . . . 50.0 111.42 175.383 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -61.96 -42.53 99.22 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.435 -0.793 . . . . 25.0 110.524 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.33 -44.57 96.96 Favored 'General case' 0 N--CA 1.514 2.727 0 CA-C-N 119.199 0.909 . . . . 50.0 112.894 178.462 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.29 -27.63 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.974 0 O-C-N 123.694 0.621 . . . . 50.0 111.412 -178.687 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 -28.7 24.93 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-O 123.413 1.578 . . . . 50.0 109.602 -177.576 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.52 -174.08 20.79 Favored Glycine 0 C--O 1.247 0.915 0 N-CA-C 105.483 -3.047 . . . . 25.0 105.483 174.242 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.64 -10.54 59.92 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 113.863 1.06 . . . . 50.0 113.863 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -72.32 -25.06 61.42 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.239 0.543 . . . . 50.0 109.708 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.39 -175.89 32.21 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 122.966 1.314 . . . . 50.0 113.327 172.396 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--N 1.323 -0.557 0 O-C-N 121.388 -1.066 . . . . 25.0 109.115 -175.335 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.967 0 CA-C-O 125.822 2.901 . . . . 25.0 112.405 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.82 -35.84 70.21 Favored 'Isoleucine or valine' 0 C--O 1.167 -3.257 0 CA-C-N 109.665 -3.268 . . . . 25.0 109.426 -177.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.68 -34.86 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 O-C-N 120.414 -1.429 . . . . 75.0 113.765 173.59 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.1 -35.97 74.52 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.537 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.75 -42.94 99.91 Favored 'General case' 0 C--O 1.199 -1.574 0 CA-C-N 114.028 -1.442 . . . . 25.0 110.072 175.747 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.7 m -68.35 -21.17 64.74 Favored 'General case' 0 C--O 1.197 -1.662 0 CA-C-N 115.232 -0.895 . . . . 50.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.07 -42.08 16.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 175.226 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -86.5 -16.53 36.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.201 -1.562 . . . . 25.0 115.212 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -128.71 -176.37 3.82 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.464 -1.31 . . . . 50.0 107.464 -174.003 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.23 132.39 31.67 Favored 'Isoleucine or valine' 0 C--O 1.251 1.149 0 CA-C-O 121.702 0.763 . . . . 25.0 109.555 178.209 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -100.83 162.92 12.57 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.041 -175.635 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -130.77 159.72 36.48 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 123.473 1.606 . . . . 50.0 112.817 177.192 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.56 -37.0 77.31 Favored 'General case' 1 C--O 1.319 4.747 0 O-C-N 119.455 -2.028 . . . . 75.0 110.576 177.627 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -63.34 -38.98 93.25 Favored 'General case' 0 C--O 1.201 -1.495 0 O-C-N 117.225 -3.422 . . . . 50.0 111.9 177.518 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.09 -40.89 95.26 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.733 0.778 . . . . 50.0 109.868 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.67 -38.81 75.77 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 113.64 -1.618 . . . . 50.0 112.404 -175.862 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.98 -25.43 63.59 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 116.006 1.854 . . . . 75.0 116.006 -178.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -71.29 -11.48 60.94 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.936 0.717 . . . . 50.0 112.936 -179.674 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -96.21 12.08 32.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 120.147 -0.621 . . . . 50.0 110.074 174.033 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -126.62 177.82 6.28 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 106.081 -1.822 . . . . 50.0 106.081 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 . . . . . 0 CA--C 1.573 1.845 0 CA-C-O 126.908 3.242 . . . . 50.0 111.525 173.311 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 121.545 0.688 . . . . 25.0 111.996 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -85.14 132.82 30.8 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 -175.836 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -79.81 125.45 29.71 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.86 -0.792 . . . . 50.0 108.86 177.587 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -150.8 -162.95 1.66 Allowed 'General case' 0 C--O 1.249 1.077 0 C-N-CA 119.908 -0.717 . . . . 50.0 111.398 -175.463 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -72.3 150.05 43.9 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.551 0.532 . . . . 75.0 110.135 175.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -133.73 90.8 2.75 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 118.47 0.577 . . . . 25.0 110.194 171.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.24 0.573 0 N-CA-C 112.442 0.534 . . . . 50.0 112.442 175.617 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.88 -1.057 . . . . 50.0 110.319 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -64.1 -34.53 78.26 Favored 'General case' 0 CA--C 1.561 1.377 0 CA-C-N 119.891 1.223 . . . . 50.0 111.547 -178.453 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.4 -39.63 81.61 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-O 121.907 0.86 . . . . 50.0 109.733 177.12 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.07 -44.68 99.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.417 -0.802 . . . . 25.0 109.541 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.36 -42.19 98.87 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.361 0.601 . . . . 50.0 111.273 178.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.52 84.61 Favored 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 177.265 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.55 -44.61 95.93 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 176.104 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.8 -41.35 97.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 118.831 -0.604 . . . . 25.0 110.643 179.825 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.94 -44.74 84.18 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 120.336 -0.546 . . . . 50.0 109.753 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -81.29 -25.28 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.01 0 N-CA-C 116.645 2.091 . . . . 50.0 116.645 -175.749 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.59 -5.82 8.12 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 119.056 -1.058 . . . . 50.0 113.667 -171.098 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.21 -166.11 13.31 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.958 -0.639 . . . . 25.0 113.136 172.418 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.52 79.31 0.27 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 115.509 1.67 . . . . 50.0 115.509 -175.691 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.78 30.72 7.23 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 115.382 1.623 . . . . 50.0 115.382 169.331 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.66 9.56 64.81 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 120.495 -0.859 . . . . 50.0 113.498 -179.17 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.206 -1.227 0 CA-C-N 117.499 0.649 . . . . 25.0 112.043 -173.794 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 CA-C-O 123.634 1.686 . . . . 25.0 112.23 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.16 -48.24 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.636 1.974 . . . . 25.0 112.052 -174.325 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 m -72.13 -32.67 44.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 120.44 -0.504 . . . . 75.0 110.415 177.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.5 -38.31 90.59 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 123.797 0.686 . . . . 25.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -80.61 -38.87 28.5 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 124.735 1.272 . . . . 25.0 112.318 -177.108 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.73 -22.94 3.79 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 119.337 3.088 . . . . 50.0 119.337 -170.635 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.59 -32.5 62.38 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.393 -1.442 . . . . 25.0 108.515 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -88.25 147.18 24.95 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 173.277 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t 56.92 -157.32 0.28 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 117.054 -1.45 . . . . 50.0 112.165 -171.396 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -100.46 122.96 53.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 -174.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.87 129.03 34.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 177.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -91.15 152.45 20.57 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 121.855 -0.528 . . . . 50.0 110.913 176.054 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.86 -29.79 70.3 Favored 'General case' 1 C--O 1.321 4.837 0 CA-C-O 123.075 1.417 . . . . 75.0 112.543 178.219 . . . . . . . . 4 4 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -58.47 -41.27 84.87 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 116.691 -3.756 . . . . 50.0 114.595 165.556 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.08 -43.14 65.32 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 118.365 -2.709 . . . . 50.0 107.942 -175.444 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.47 -39.03 82.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.335 -0.848 . . . . 50.0 111.936 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.47 -19.92 65.15 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 117.967 -1.493 . . . . 75.0 112.498 -177.08 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -68.62 -20.11 64.47 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 -176.198 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.97 9.93 23.31 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 109.914 -0.402 . . . . 50.0 109.914 -178.393 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.5 m -74.93 -12.17 60.29 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 119.032 0.833 . . . . 50.0 109.802 173.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--O 1.207 -1.134 0 CA-C-O 124.553 2.121 . . . . 50.0 108.706 164.462 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.2 t80 . . . . . 0 CA--C 1.484 -1.582 0 CA-C-O 124.706 2.193 . . . . 25.0 109.315 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t -96.55 120.51 45.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 O-C-N 119.86 -1.775 . . . . 25.0 109.24 -176.904 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -79.97 96.76 6.51 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 116.183 -0.462 . . . . 50.0 109.991 176.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -148.27 173.61 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.379 0.881 . . . . 50.0 113.379 -179.607 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.44 72.25 10.25 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 122.519 1.152 . . . . 75.0 108.046 176.006 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -78.9 91.75 4.82 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 122.972 1.367 . . . . 25.0 109.073 -174.445 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.55 0.951 0 CA-C-N 115.328 -0.851 . . . . 50.0 111.258 -179.871 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.56 1.356 0 CA-C-O 121.666 0.746 . . . . 50.0 111.32 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.77 -18.33 64.83 Favored 'General case' 0 CA--C 1.567 1.613 0 O-C-N 121.572 -0.705 . . . . 50.0 112.29 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.2 -39.82 68.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.438 -0.578 . . . . 50.0 109.438 175.087 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.74 -40.18 78.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 114.71 -1.132 . . . . 25.0 108.038 -177.249 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -58.95 -46.24 88.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.969 -1.014 . . . . 50.0 109.41 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.81 85.98 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 124.345 1.028 . . . . 25.0 110.404 -176.443 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -38.1 87.68 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.962 0.905 . . . . 50.0 109.465 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -66.28 -43.93 84.99 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.615 0.572 . . . . 25.0 111.213 173.176 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.67 -41.19 98.21 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 120.346 -0.542 . . . . 50.0 112.454 -179.452 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.6 -31.19 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 N-CA-C 113.079 0.77 . . . . 50.0 113.079 -178.236 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -18.08 58.16 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 108.02 -1.104 . . . . 50.0 108.02 175.171 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.78 174.78 36.7 Favored Glycine 0 C--O 1.194 -2.398 0 CA-C-N 114.786 -1.097 . . . . 25.0 113.16 177.479 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.88 -13.4 59.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 118.946 1.373 . . . . 50.0 110.722 174.61 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -68.6 -28.34 66.84 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.703 -1.135 . . . . 50.0 108.491 178.15 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.26 178.53 50.75 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-O 122.492 1.051 . . . . 50.0 115.088 172.41 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.425 -1.724 0 N-CA-C 105.99 -1.856 . . . . 25.0 105.99 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.525 0 N-CA-C 117.59 1.796 . . . . 25.0 117.59 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp -59.67 -43.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 113.696 -1.252 . . . . 25.0 109.832 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.3 t -59.62 -48.61 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 C-N-CA 120.757 -0.377 . . . . 75.0 110.773 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.11 -43.69 94.53 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 123.116 0.567 . . . . 25.0 111.575 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -67.44 -41.12 85.25 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 119.454 -0.899 . . . . 25.0 110.131 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -81.0 -8.98 59.89 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.663 -1.273 . . . . 50.0 112.134 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.05 -36.99 69.75 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -102.76 -0.14 31.98 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -146.71 157.76 43.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.885 -0.598 . . . . 50.0 110.103 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.89 137.92 22.66 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.0 m -133.87 89.67 2.61 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 122.037 0.922 . . . . 25.0 111.097 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.0 p -69.35 163.0 26.13 Favored 'General case' 0 CA--C 1.493 -1.247 0 CA-C-N 114.806 -1.088 . . . . 50.0 109.54 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.56 -28.46 20.97 Favored 'General case' 1 C--O 1.312 4.358 0 O-C-N 119.068 -2.27 . . . . 75.0 113.384 170.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -64.34 -42.69 96.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.692 -1.88 . . . . 50.0 111.663 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -72.41 -41.49 66.18 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 113.865 -1.516 . . . . 50.0 112.731 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.76 -27.84 66.87 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.909 1.078 . . . . 50.0 113.909 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.45 -29.49 64.25 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 113.917 1.081 . . . . 75.0 113.917 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.02 -20.71 65.03 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.974 -1.079 . . . . 50.0 111.295 -175.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -90.04 -7.38 54.03 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 122.267 -0.27 . . . . 50.0 111.249 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.29 11.06 33.9 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 115.455 -0.793 . . . . 50.0 111.427 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t30 . . . . . 0 CA--C 1.564 1.488 0 CA-C-O 124.347 2.022 . . . . 50.0 109.616 -179.07 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.24 139.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 121.351 -0.843 . . . . 25.0 109.832 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -100.98 75.71 1.7 Allowed 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 105.778 -1.934 . . . . 50.0 105.778 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.19 -164.33 1.36 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.746 -1.205 . . . . 50.0 107.746 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -75.69 146.69 39.98 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.903 -1.147 . . . . 75.0 107.903 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -127.53 95.01 4.12 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t -93.55 -51.52 4.91 Favored 'General case' 0 CA--C 1.584 2.261 0 N-CA-C 114.17 1.174 . . . . 50.0 114.17 173.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.53 3.561 0 C-N-CA 126.418 1.887 . . . . 75.0 112.792 178.449 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.5 t -55.66 -19.89 12.17 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.436 1.494 . . . . 50.0 111.714 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -54.71 -32.07 59.04 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 115.072 -0.967 . . . . 50.0 113.058 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.66 -44.18 87.12 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 119.413 -0.327 . . . . 50.0 110.737 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.2 t -68.92 -40.27 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 122.395 1.093 . . . . 25.0 109.722 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.97 -46.83 89.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.98 -1.075 . . . . 50.0 111.763 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.91 91.83 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.272 1.034 . . . . 25.0 113.356 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.62 -42.32 95.58 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.923 -1.111 . . . . 50.0 109.476 175.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.5 -35.62 79.94 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.835 -1.079 . . . . 25.0 111.054 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.42 -39.92 81.41 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 119.325 -0.95 . . . . 50.0 112.865 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.34 -31.97 16.43 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 C-N-CA 119.3 -0.96 . . . . 50.0 112.081 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -29.39 41.62 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.266 0.839 . . . . 50.0 113.266 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.49 -55.24 4.08 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 118.216 -1.324 . . . . 25.0 113.661 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -123.14 42.75 3.12 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.73 1.752 . . . . 50.0 115.73 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 54.06 40.29 31.47 Favored 'General case' 0 C--O 1.189 -2.08 0 N-CA-C 116.031 1.863 . . . . 50.0 116.031 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.26 44.16 3.0 Favored Glycine 0 C--O 1.212 -1.221 0 O-C-N 120.921 -1.112 . . . . 50.0 113.753 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -150.94 166.92 29.17 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.32 171.11 14.87 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.013 -0.736 . . . . 50.0 109.013 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 t80 107.12 138.0 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 128.485 2.714 . . . . 50.0 113.428 169.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -150.55 165.88 31.95 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 103.199 -2.889 . . . . 25.0 103.199 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -56.25 120.6 36.25 Favored Pre-proline 0 CA--C 1.584 2.257 0 O-C-N 122.195 -0.316 . . . . 50.0 110.325 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.78 98.58 1.22 Allowed 'Trans proline' 0 CA--C 1.579 2.741 0 C-N-CA 118.37 -0.62 . . . . 50.0 110.899 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.501 2.11 0 CA-C-O 124.412 2.053 . . . . 25.0 115.607 -178.099 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 118.135 2.014 . . . . 25.0 118.135 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.8 mt -53.77 -57.46 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.832 1.653 . . . . 25.0 112.042 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.38 -47.46 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 119.069 -2.269 . . . . 75.0 110.594 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.18 -40.38 89.77 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 118.891 -0.576 . . . . 25.0 112.487 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -71.56 -39.3 70.71 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.674 0.75 . . . . 25.0 112.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -80.75 -52.68 7.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.843 -0.617 . . . . 50.0 112.553 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.2 t -72.42 -18.83 61.68 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.523 0.935 . . . . 25.0 113.523 -172.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -74.48 -10.26 59.39 Favored 'General case' 0 C--O 1.246 0.882 0 O-C-N 120.449 -1.407 . . . . 25.0 113.271 -174.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.53 -168.98 3.26 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.085 -1.82 . . . . 50.0 106.085 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -70.24 129.58 34.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 166.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.17 137.33 40.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.009 0.923 . . . . 25.0 109.147 -174.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -113.76 155.81 24.96 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 119.576 1.08 . . . . 50.0 113.591 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.06 -29.95 71.06 Favored 'General case' 1 C--O 1.318 4.709 0 CA-C-O 122.561 1.172 . . . . 75.0 112.46 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 119.5 -2.0 . . . . 50.0 110.389 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.35 -41.73 72.77 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 119.71 -1.868 . . . . 50.0 112.54 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.259 -1.525 . . . . 50.0 113.511 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -61.54 -22.2 64.94 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 118.502 -0.761 . . . . 75.0 110.463 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.55 -21.58 65.67 Favored 'General case' 0 C--O 1.205 -1.248 0 CA-C-N 120.052 1.296 . . . . 50.0 110.165 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.86 14.23 24.36 Favored 'General case' 0 C--O 1.26 1.643 0 O-C-N 123.761 0.663 . . . . 50.0 111.597 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 150.52 42.3 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.026 -0.988 . . . . 50.0 110.555 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.1 p30 . . . . . 0 C--O 1.204 -1.337 0 O-C-N 125.402 1.689 . . . . 50.0 112.793 177.678 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 C--O 1.207 -1.14 0 CA-C-O 120.958 0.409 . . . . 25.0 111.651 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.1 133.75 30.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -76.84 129.25 35.97 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 122.808 1.29 . . . . 50.0 112.145 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.39 173.63 13.8 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.918 -1.141 . . . . 50.0 107.918 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -76.77 -16.92 59.33 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.012 -0.995 . . . . 75.0 110.871 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 mt 48.48 59.13 4.54 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.018 0.927 . . . . 25.0 112.589 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 m -98.7 167.07 11.01 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 113.513 0.931 . . . . 50.0 113.513 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.286 0 C-N-CA 127.248 2.219 . . . . 75.0 112.592 179.741 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -53.44 -31.73 46.71 Favored 'General case' 0 C--N 1.373 1.607 0 O-C-N 119.106 -2.246 . . . . 50.0 112.738 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -74.49 -29.04 61.27 Favored 'General case' 0 C--O 1.179 -2.607 0 O-C-N 121.395 -0.816 . . . . 50.0 109.612 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.56 -37.18 79.69 Favored 'General case' 0 C--O 1.194 -1.839 0 O-C-N 121.115 -0.991 . . . . 50.0 108.596 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.69 -43.62 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.341 -1.474 . . . . 25.0 107.29 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.61 -42.14 91.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.094 -1.004 . . . . 50.0 111.797 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.14 90.85 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.303 0.641 . . . . 25.0 110.025 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.59 -42.34 96.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.028 0.442 . . . . 50.0 110.855 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -62.43 -42.3 99.34 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.399 -0.813 . . . . 25.0 111.078 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.32 -42.83 83.0 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.587 -0.845 . . . . 50.0 110.141 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -76.03 -29.62 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 118.042 -0.98 . . . . 50.0 112.198 -174.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -28.2 36.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 122.651 1.215 . . . . 50.0 109.002 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.66 -169.14 48.56 Favored Glycine 0 N--CA 1.439 -1.126 0 N-CA-C 108.881 -1.688 . . . . 25.0 108.881 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.29 -8.13 16.53 Favored 'General case' 0 C--O 1.259 1.583 0 O-C-N 121.626 -0.926 . . . . 50.0 113.219 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -56.56 -36.34 69.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.654 1.221 . . . . 50.0 108.132 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.82 168.16 33.97 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-O 123.443 1.579 . . . . 50.0 113.275 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -128.92 1.87 5.34 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -76.31 142.32 41.33 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 122.484 1.135 . . . . 50.0 110.846 -159.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -72.12 -31.11 65.72 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 106.913 -1.514 . . . . 50.0 106.913 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.79 111.48 8.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.339 -0.846 . . . . 25.0 109.11 175.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -81.57 141.55 48.79 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 115.661 -0.699 . . . . 50.0 111.015 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -79.39 75.74 4.9 Favored 'Trans proline' 0 C--N 1.375 1.924 0 CA-C-O 123.704 1.46 . . . . 50.0 113.537 -172.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.414 -2.241 0 CA-C-O 126.362 2.982 . . . . 25.0 111.004 174.349 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.313 0 CA-C-O 124.153 1.974 . . . . 25.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.0 mt -52.54 -62.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.576 0 CA-C-N 111.864 -2.168 . . . . 25.0 112.511 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.25 -43.0 97.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 107.767 -1.197 . . . . 75.0 107.767 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.68 -49.15 77.66 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.199 -173.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.13 -42.88 65.52 Favored 'General case' 0 C--O 1.241 0.653 0 O-C-N 119.907 -1.746 . . . . 25.0 107.644 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.29 -20.93 65.91 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.841 0.746 . . . . 50.0 111.893 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -96.16 -43.8 7.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.885 -0.509 . . . . 25.0 110.946 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -69.46 -21.78 63.69 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 122.991 1.377 . . . . 25.0 113.168 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.5 m -128.88 170.96 12.77 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.247 -1.533 . . . . 50.0 107.831 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.4 mm -63.42 134.86 28.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 105.583 -2.006 . . . . 25.0 105.583 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -120.25 81.32 1.73 Allowed 'General case' 0 C--O 1.244 0.773 0 CA-C-O 122.693 1.235 . . . . 25.0 111.919 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -64.86 167.73 7.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.565 1.174 . . . . 50.0 113.83 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 mt -58.34 -38.69 77.69 Favored 'General case' 1 C--O 1.335 5.566 0 O-C-N 120.145 -1.597 . . . . 75.0 112.809 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.84 -36.52 72.42 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 118.304 -2.748 . . . . 50.0 113.221 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -76.15 -45.15 34.96 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 119.362 -0.935 . . . . 50.0 108.523 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.45 -36.74 34.76 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.105 1.15 . . . . 50.0 114.105 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -60.34 -30.96 69.87 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 113.16 0.8 . . . . 75.0 113.16 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.75 -16.15 63.26 Favored 'General case' 0 C--O 1.2 -1.518 0 C-N-CA 119.434 -0.906 . . . . 50.0 113.232 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -96.47 3.93 52.44 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 121.168 0.508 . . . . 50.0 111.104 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -94.41 -153.15 0.37 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.228 1.013 . . . . 50.0 108.659 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 N--CA 1.502 2.127 0 O-C-N 117.758 -3.089 . . . . 50.0 113.583 -179.387 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 115.027 1.492 . . . . 25.0 115.027 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.29 139.98 37.4 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -78.01 85.99 4.21 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 124.432 1.082 . . . . 50.0 109.524 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -154.57 -175.34 5.36 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.036 -1.468 . . . . 50.0 107.036 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -71.35 146.49 48.77 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 120.91 -1.119 . . . . 75.0 108.607 175.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.66 111.03 15.72 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 124.557 1.161 . . . . 25.0 109.159 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.25 160.72 32.08 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 121.018 0.437 . . . . 50.0 110.246 -173.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.453 0 C-N-CA 125.478 1.511 . . . . 75.0 112.147 177.875 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t -50.35 -34.55 24.38 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.819 1.248 . . . . 50.0 111.658 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -63.72 -33.1 74.9 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 119.89 -0.724 . . . . 50.0 112.603 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.77 -46.03 66.7 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 106.83 -1.545 . . . . 50.0 106.83 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.25 -50.63 77.77 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 O-C-N 121.27 -0.894 . . . . 25.0 110.142 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.626 -0.715 . . . . 50.0 110.565 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.84 82.93 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.409 1.1 . . . . 25.0 109.908 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.56 -41.28 98.41 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.824 -1.08 . . . . 50.0 113.102 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.71 -35.2 80.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.489 0.661 . . . . 25.0 111.941 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.7 mt -68.75 -47.76 65.45 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-O 121.453 0.644 . . . . 50.0 112.571 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -74.56 -34.86 36.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 118.277 -1.369 . . . . 50.0 110.807 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -82.57 -21.09 35.38 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 121.635 -0.666 . . . . 50.0 109.598 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 179.58 46.31 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 123.207 1.448 . . . . 25.0 113.06 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -72.26 -0.83 13.19 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 121.479 -1.012 . . . . 50.0 112.766 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -27.32 64.36 Favored 'General case' 0 C--O 1.204 -1.299 0 O-C-N 125.871 1.982 . . . . 50.0 108.437 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 164.43 38.01 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 114.117 -1.401 . . . . 50.0 115.97 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -124.32 165.88 16.9 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.48 -1.674 . . . . 25.0 106.48 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.01 -165.07 0.99 Allowed 'General case' 0 C--O 1.255 1.367 0 CA-C-N 115.721 -0.672 . . . . 50.0 112.807 -172.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.7 t80 52.88 64.24 1.94 Allowed 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 122.374 1.083 . . . . 50.0 113.86 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 40.8 p -131.36 161.26 32.8 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -102.98 115.1 64.68 Favored Pre-proline 0 C--O 1.224 -0.273 0 N-CA-C 107.739 -1.208 . . . . 50.0 107.739 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -72.02 115.83 4.47 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 117.852 -0.965 . . . . 50.0 109.747 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 124.636 2.16 . . . . 25.0 110.037 -175.394 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 114.347 0.499 . . . . 25.0 114.347 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.4 mt -61.35 -43.7 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -172.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.21 -43.51 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-O 121.772 0.796 . . . . 75.0 109.983 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -72.06 -39.25 69.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.471 -1.393 . . . . 25.0 112.367 -175.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.05 -41.73 94.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 125.414 1.697 . . . . 25.0 113.232 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -85.67 -51.25 6.58 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.753 1.76 . . . . 50.0 115.753 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.63 -16.53 61.18 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -72.06 -5.21 33.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.932 -1.105 . . . . 25.0 113.715 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.7 p -139.96 -175.59 4.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 105.73 -1.952 . . . . 50.0 105.73 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.62 124.61 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 104.629 -2.36 . . . . 25.0 104.629 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.43 150.13 36.78 Favored 'General case' 0 CA--C 1.484 -1.56 0 CA-C-N 114.335 -1.302 . . . . 25.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -135.1 148.99 49.97 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 113.351 -1.75 . . . . 50.0 110.65 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.0 mm? -61.58 -33.43 73.87 Favored 'General case' 1 C--O 1.313 4.435 0 CA-C-O 124.726 2.203 . . . . 75.0 113.487 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.71 -40.04 95.93 Favored 'General case' 0 C--N 1.324 -0.517 1 O-C-N 115.625 -4.422 . . . . 50.0 112.452 171.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -72.23 -41.76 66.48 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 119.229 -2.17 . . . . 50.0 109.167 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.72 -29.11 64.46 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 114.322 1.23 . . . . 50.0 114.322 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.36 -25.84 67.43 Favored 'General case' 0 N--CA 1.439 -1.01 0 O-C-N 123.331 0.395 . . . . 75.0 111.821 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.72 -19.21 63.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.677 -0.639 . . . . 50.0 112.153 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.48 -2.39 36.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.146 -1.057 . . . . 50.0 108.146 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.67 164.85 18.36 Favored 'General case' 0 C--O 1.197 -1.679 0 N-CA-C 106.42 -1.696 . . . . 50.0 106.42 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 CA--C 1.572 1.818 0 CA-C-O 124.258 1.98 . . . . 50.0 114.358 -172.517 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 122.095 0.95 . . . . 25.0 113.292 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t 62.83 102.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 126.098 1.759 . . . . 25.0 112.491 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -87.94 59.18 5.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.152 -1.386 . . . . 50.0 111.588 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.39 -165.13 1.96 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.617 -0.677 . . . . 50.0 109.977 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -77.83 93.82 4.41 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.442 -0.577 . . . . 75.0 109.442 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.48 122.19 26.13 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -133.74 167.66 20.12 Favored 'General case' 0 C--O 1.261 1.699 0 N-CA-C 108.608 -0.886 . . . . 50.0 108.608 -177.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 1.922 0 C-N-CA 127.214 2.206 . . . . 75.0 109.096 177.232 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -52.41 -33.89 45.86 Favored 'General case' 0 C--O 1.197 -1.69 0 C-N-CA 125.928 1.691 . . . . 50.0 111.479 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -68.69 -33.14 73.45 Favored 'General case' 0 C--O 1.187 -2.218 0 C-N-CA 119.582 -0.847 . . . . 50.0 111.176 -174.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.48 -38.4 74.39 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 122.434 1.111 . . . . 50.0 109.734 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.53 -44.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 120.964 -1.085 . . . . 25.0 108.648 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.25 -42.43 99.19 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 118.966 -0.54 . . . . 50.0 109.81 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.42 95.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.69 97.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.518 -0.549 . . . . 50.0 109.518 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -65.4 -35.34 80.65 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 123.409 1.576 . . . . 25.0 113.877 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -72.39 -38.69 68.41 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 113.906 -1.497 . . . . 50.0 110.567 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -82.42 -34.62 12.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 119.31 -0.956 . . . . 50.0 112.56 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.72 -35.51 38.81 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 119.34 0.973 . . . . 50.0 110.038 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.76 173.63 14.52 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 120.457 -0.877 . . . . 25.0 112.892 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.79 -16.76 63.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.799 1.037 . . . . 50.0 113.799 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -76.64 -0.01 21.87 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 122.213 -0.304 . . . . 50.0 110.455 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -176.77 54.58 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 110.082 -1.207 . . . . 50.0 110.082 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -120.72 -41.94 2.55 Favored 'General case' 0 C--O 1.194 -1.833 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -154.66 161.42 41.58 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 108.623 -0.881 . . . . 50.0 108.623 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -123.79 134.57 53.61 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 105.893 -1.891 . . . . 50.0 105.893 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.0 t -142.78 158.73 43.35 Favored 'General case' 0 C--O 1.269 2.095 0 N-CA-C 106.669 -1.604 . . . . 25.0 106.669 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -96.2 116.01 65.92 Favored Pre-proline 0 N--CA 1.479 1.006 0 CA-C-O 119.185 -0.436 . . . . 50.0 111.435 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.84 108.88 2.75 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 117.811 -0.993 . . . . 50.0 111.882 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.176 -2.783 0 CA-C-O 125.645 2.641 . . . . 25.0 114.683 -176.619 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.14 0 CA-C-O 121.564 0.536 . . . . 25.0 111.925 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.17 -51.36 63.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.517 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.01 -31.8 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 CA-C-N 115.263 -0.881 . . . . 75.0 112.494 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.9 -36.79 72.87 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 108.031 -1.099 . . . . 25.0 108.031 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -70.56 -41.84 71.92 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -100.08 -22.15 15.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 120.533 3.531 . . . . 50.0 120.533 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.33 -11.97 59.97 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.538 -1.351 . . . . 25.0 109.012 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -121.32 151.54 39.97 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.842 -1.161 . . . . 25.0 108.067 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t 48.33 -148.14 0.22 Allowed 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 115.719 -0.673 . . . . 50.0 110.716 -171.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.5 112.8 21.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 105.692 -1.966 . . . . 25.0 105.692 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.1 p -83.7 159.43 21.51 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.271 0.357 . . . . 25.0 110.621 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -102.2 153.73 19.69 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 121.293 0.568 . . . . 50.0 112.144 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 mt -67.81 -19.77 65.11 Favored 'General case' 1 C--O 1.325 5.043 0 N-CA-C 106.67 -1.604 . . . . 75.0 106.67 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -63.3 -43.81 96.79 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.367 -3.333 . . . . 50.0 110.584 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -68.05 -40.94 82.7 Favored 'General case' 0 C--O 1.172 -3.0 0 CA-C-N 114.254 -1.339 . . . . 50.0 110.824 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.17 -39.39 82.37 Favored 'General case' 0 C--O 1.182 -2.495 0 O-C-N 120.759 -1.213 . . . . 50.0 109.827 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.64 -20.95 66.59 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.326 -0.858 . . . . 75.0 112.806 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -71.84 -16.64 62.16 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.547 -0.739 . . . . 50.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -85.98 -6.62 59.02 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 118.702 0.683 . . . . 50.0 110.093 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.3 m -76.06 167.26 22.19 Favored 'General case' 0 C--O 1.197 -1.697 0 CA-C-O 123.99 1.852 . . . . 50.0 106.635 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.506 2.371 0 CA-C-O 125.248 2.451 . . . . 50.0 115.688 174.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.0 t -91.35 118.48 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -108.93 128.56 55.04 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 114.732 -1.122 . . . . 50.0 112.145 -170.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -133.9 -155.35 0.66 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.296 -1.32 . . . . 50.0 108.46 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -85.69 75.95 10.02 Favored 'General case' 0 CA--C 1.466 -2.257 0 C-N-CA 123.029 0.531 . . . . 75.0 109.907 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.13 125.52 25.24 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 107.694 -1.225 . . . . 25.0 107.694 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.2 t -138.94 -58.84 0.6 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.532 3.66 0 C-N-CA 126.94 2.096 . . . . 75.0 111.152 -177.704 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -51.46 -30.25 19.13 Favored 'General case' 0 C--N 1.38 1.928 0 N-CA-C 115.369 1.618 . . . . 50.0 115.369 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -63.62 -27.67 69.39 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 120.372 -1.455 . . . . 50.0 112.073 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.75 -42.13 91.29 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 108.215 -1.032 . . . . 50.0 108.215 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.8 t -66.85 -43.76 89.42 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.421 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -62.68 -39.74 94.92 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.402 -0.811 . . . . 50.0 110.453 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.97 84.46 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 118.432 0.56 . . . . 25.0 109.966 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -41.65 77.64 Favored 'General case' 0 C--O 1.206 -1.189 0 CA-C-O 121.169 0.509 . . . . 50.0 110.615 176.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -63.93 -43.16 96.73 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 119.578 -0.849 . . . . 25.0 112.092 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 mt -59.6 -47.05 87.09 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.454 0.645 . . . . 50.0 110.779 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.74 -28.27 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 O-C-N 120.507 -1.371 . . . . 50.0 112.053 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -85.75 -22.37 27.77 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.255 -1.387 . . . . 50.0 107.255 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 -173.15 50.27 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-O 124.816 2.342 . . . . 25.0 109.737 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -68.49 -11.0 59.2 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 112.823 -1.689 . . . . 50.0 109.371 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.8 mmm-85 -60.46 -31.61 70.61 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 122.439 1.114 . . . . 50.0 111.897 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.01 156.27 31.37 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 117.562 -1.688 . . . . 50.0 112.933 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -128.69 0.67 5.48 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 124.067 1.889 . . . . 25.0 110.836 -175.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -90.26 164.76 14.26 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 113.264 -1.789 . . . . 50.0 108.854 -169.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.46 142.57 42.02 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 115.62 -0.718 . . . . 50.0 111.582 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.9 p 62.79 131.41 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 117.376 2.362 . . . . 25.0 117.376 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -117.53 157.3 47.96 Favored Pre-proline 0 C--O 1.253 1.252 0 N-CA-C 105.587 -2.005 . . . . 50.0 105.587 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.09 102.71 1.62 Allowed 'Trans proline' 0 C--O 1.254 1.285 0 C-N-CA 121.102 1.201 . . . . 50.0 111.44 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.486 1.373 0 O-C-N 119.997 -1.689 . . . . 25.0 112.886 -172.299 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.006 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 mt -57.6 -46.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 CA-C-O 121.004 0.43 . . . . 25.0 111.291 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -71.54 -31.51 42.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 CA-C-O 121.746 0.784 . . . . 75.0 112.66 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -64.63 -50.87 65.42 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -65.36 -40.31 93.43 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -79.85 -16.38 55.54 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.544 0.942 . . . . 50.0 113.544 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.15 -38.07 10.31 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 120.69 -1.256 . . . . 25.0 113.102 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -75.14 -22.53 58.09 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 122.137 -0.352 . . . . 25.0 111.074 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.7 p -153.05 162.92 40.75 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 123.505 0.722 . . . . 50.0 110.334 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.72 95.11 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -68.37 150.82 47.72 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.655 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -92.95 147.56 22.74 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 121.603 0.716 . . . . 50.0 111.355 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.6 mt -55.83 -39.55 71.57 Favored 'General case' 1 C--O 1.34 5.829 0 CA-C-N 115.696 -0.684 . . . . 75.0 112.225 174.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -58.27 -35.16 71.34 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 118.562 -2.586 . . . . 50.0 114.168 171.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.03 -37.76 78.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.275 -1.515 . . . . 50.0 111.641 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -34.94 78.86 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.351 -0.84 . . . . 50.0 110.275 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -60.88 -19.28 59.98 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 114.836 1.421 . . . . 75.0 114.836 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -70.87 -16.39 62.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.016 0.913 . . . . 50.0 111.925 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -106.96 14.81 26.06 Favored 'General case' 0 CA--C 1.492 -1.252 0 C-N-CA 124.663 1.185 . . . . 50.0 108.258 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.64 -177.24 4.39 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 102.817 -3.031 . . . . 50.0 102.817 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--O 1.189 -2.081 0 CA-C-O 124.727 2.203 . . . . 50.0 111.735 179.66 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.5 t80 . . . . . 0 CA--C 1.483 -1.616 0 N-CA-C 115.676 1.732 . . . . 25.0 115.676 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.0 t -79.55 133.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 114.771 -1.104 . . . . 25.0 111.71 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -113.42 125.63 54.45 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 123.247 1.499 . . . . 50.0 109.745 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.77 -156.19 0.68 Allowed 'General case' 0 C--O 1.197 -1.69 0 N-CA-C 105.193 -2.151 . . . . 50.0 105.193 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.67 93.38 2.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 106.397 -1.705 . . . . 75.0 106.397 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.81 78.41 7.59 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 121.469 -0.769 . . . . 25.0 112.081 -171.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 83.9 m -101.58 157.62 16.69 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-O 122.771 1.272 . . . . 50.0 107.953 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.548 4.428 0 C-N-CA 126.259 1.824 . . . . 75.0 111.86 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t -49.11 -41.76 36.91 Favored 'General case' 0 C--N 1.374 1.639 0 O-C-N 124.207 0.942 . . . . 50.0 112.569 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -67.58 -36.0 80.06 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 124.6 1.187 . . . . 50.0 111.486 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.04 -47.01 81.86 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 106.948 -1.501 . . . . 50.0 106.948 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.43 -46.71 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 CA-C-N 115.202 -0.908 . . . . 25.0 110.642 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -57.5 -44.85 85.31 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.204 0.94 . . . . 50.0 110.463 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.27 91.44 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 120.684 0.278 . . . . 25.0 111.322 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -56.7 -46.56 81.16 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.059 0.457 . . . . 50.0 110.066 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -61.81 -41.55 97.9 Favored 'General case' 0 C--O 1.191 -1.979 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.51 -33.15 68.96 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 119.408 -0.917 . . . . 50.0 112.875 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.28 -32.62 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 119.973 -1.704 . . . . 50.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.88 -39.97 29.36 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 119.126 -1.03 . . . . 50.0 110.322 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.87 178.55 17.33 Favored Glycine 0 C--O 1.248 0.969 0 CA-C-O 122.445 1.025 . . . . 25.0 111.947 -175.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.63 -13.22 62.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.95 -0.625 . . . . 50.0 109.744 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -12.85 61.28 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 124.197 0.936 . . . . 50.0 109.991 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 173.92 46.73 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-O 123.832 1.796 . . . . 50.0 112.776 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -123.04 174.93 6.9 Favored 'General case' 0 C--O 1.206 -1.233 0 C-N-CA 125.592 1.557 . . . . 25.0 111.965 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -119.33 170.1 9.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.912 0.757 . . . . 50.0 110.321 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -111.53 92.49 4.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.891 -1.152 . . . . 50.0 107.891 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p 67.74 144.95 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 126.724 2.01 . . . . 25.0 113.615 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -72.58 142.52 83.94 Favored Pre-proline 0 N--CA 1.485 1.283 0 O-C-N 121.655 -0.653 . . . . 50.0 110.109 -175.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.54 89.28 1.21 Allowed 'Trans proline' 0 CA--C 1.554 1.509 0 C-N-CA 114.975 -2.883 . . . . 50.0 112.671 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.186 -2.251 0 CA-C-O 124.938 2.304 . . . . 25.0 113.66 -176.293 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.556 0 CA-C-O 125.792 2.884 . . . . 25.0 110.339 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mp -66.18 -46.82 86.55 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.076 0 CA-C-N 110.603 -2.799 . . . . 25.0 111.424 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.07 -32.89 49.5 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 O-C-N 121.043 -1.036 . . . . 75.0 110.22 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -64.55 -47.04 80.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.514 -0.312 . . . . 25.0 110.646 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -66.49 -45.08 80.81 Favored 'General case' 0 CA--C 1.559 1.32 0 O-C-N 123.358 0.411 . . . . 25.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -71.38 -23.69 61.94 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.243 1.572 . . . . 50.0 115.243 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.54 -37.79 59.78 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 120.539 1.518 . . . . 25.0 112.727 172.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -86.12 -26.66 25.1 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.579 1.081 . . . . 25.0 113.166 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t -126.46 179.66 5.2 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.622 -1.251 . . . . 50.0 107.622 -171.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mm -89.8 131.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.4 m -113.35 87.32 2.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.824 0.85 . . . . 25.0 112.664 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.7 m -68.01 153.29 44.04 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.98 0.895 . . . . 50.0 110.546 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -52.59 -45.0 66.32 Favored 'General case' 1 C--O 1.324 4.995 0 O-C-N 119.644 -1.91 . . . . 75.0 109.942 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -55.01 -42.47 72.6 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 116.172 -4.08 . . . . 50.0 113.891 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.14 -38.0 78.58 Favored 'General case' 0 CA--C 1.559 1.31 0 O-C-N 119.831 -1.793 . . . . 50.0 112.008 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -60.2 -30.17 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.427 -0.796 . . . . 50.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.23 -23.84 62.66 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-O 119.157 -0.449 . . . . 75.0 110.909 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.35 -19.76 65.48 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.122 1.328 . . . . 50.0 112.418 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.6 -3.7 35.65 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.553 0.692 . . . . 50.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -70.38 158.92 35.1 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 121.875 0.845 . . . . 50.0 109.942 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.508 2.46 0 CA-C-O 124.966 2.317 . . . . 50.0 113.532 174.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 N--CA 1.517 2.876 0 N-CA-C 117.786 2.513 . . . . 25.0 117.786 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.8 t -83.16 123.71 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.605 -1.309 . . . . 25.0 111.178 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -82.86 125.2 31.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.735 0.778 . . . . 50.0 112.491 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.62 -162.87 0.91 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.83 -1.174 . . . . 50.0 107.83 -175.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -61.61 150.31 36.63 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.565 -1.642 . . . . 75.0 106.565 172.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -141.05 128.85 21.67 Favored 'General case' 0 C--O 1.198 -1.627 0 C-N-CA 123.59 0.756 . . . . 25.0 109.372 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m -142.23 -166.28 2.21 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 105.943 -1.873 . . . . 50.0 105.943 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.612 3.346 0 C-N-CA 125.235 1.414 . . . . 75.0 111.567 179.594 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -64.23 -28.87 70.03 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 114.559 -1.201 . . . . 50.0 109.087 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -54.98 -37.37 66.46 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 116.593 -1.67 . . . . 50.0 111.766 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.01 -44.89 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 120.195 1.361 . . . . 50.0 108.456 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.26 -49.07 85.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.117 0.484 . . . . 25.0 109.741 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -43.04 98.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.404 -0.362 . . . . 50.0 110.712 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.65 92.48 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 121.59 -0.693 . . . . 25.0 109.324 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.44 -42.1 98.23 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.86 -42.56 97.51 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.235 -0.915 . . . . 25.0 110.711 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.36 -42.39 79.26 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.915 0.709 . . . . 50.0 112.915 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -72.88 -33.15 42.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.295 -0.562 . . . . 50.0 110.407 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -77.02 -36.29 56.33 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 114.028 1.122 . . . . 50.0 114.028 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.17 -177.61 20.32 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 125.01 2.45 . . . . 25.0 114.622 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.52 -14.16 60.44 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 112.349 -1.926 . . . . 50.0 111.709 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -17.81 61.77 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 116.007 -0.542 . . . . 50.0 112.226 174.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.0 -163.57 24.83 Favored Glycine 0 C--O 1.202 -1.882 0 C-N-CA 117.66 -2.209 . . . . 50.0 114.841 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -148.37 153.22 38.29 Favored 'General case' 0 C--O 1.186 -2.263 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.88 27.69 8.55 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-O 121.489 0.662 . . . . 50.0 110.148 -170.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.11 4.45 14.62 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 114.416 -1.265 . . . . 50.0 111.008 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t -142.55 52.3 1.43 Allowed 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 122.808 1.29 . . . . 25.0 111.348 -173.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -78.39 131.4 68.78 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 114.65 -1.159 . . . . 50.0 111.873 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -80.53 87.3 1.53 Allowed 'Trans proline' 0 C--N 1.377 2.078 0 CA-C-O 122.732 1.055 . . . . 50.0 111.276 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 N--CA 1.506 2.337 0 C-N-CA 126.018 1.727 . . . . 25.0 115.022 -171.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.449 0 CA-C-O 124.473 2.152 . . . . 25.0 112.707 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.41 -46.97 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 113.841 -1.18 . . . . 25.0 113.299 -173.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -78.34 -28.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 118.543 -1.263 . . . . 75.0 110.852 -174.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.88 -39.34 83.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.961 -1.126 . . . . 25.0 107.961 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -72.61 -35.33 67.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.738 -0.602 . . . . 25.0 111.852 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.15 -45.79 31.82 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 114.299 1.222 . . . . 50.0 114.299 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.94 -17.67 62.06 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 115.766 1.765 . . . . 25.0 115.766 -169.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -79.57 -4.53 51.92 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 119.979 -0.688 . . . . 25.0 109.806 -174.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 t -150.78 -158.95 0.97 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 100.846 -3.761 . . . . 50.0 100.846 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -120.88 99.38 7.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 101.265 -3.606 . . . . 25.0 101.265 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.22 156.36 38.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.35 -0.841 . . . . 25.0 111.354 -174.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 p -103.67 157.91 16.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 122.648 1.213 . . . . 50.0 111.524 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.04 -35.22 79.53 Favored 'General case' 1 C--O 1.35 6.356 0 O-C-N 120.287 -1.508 . . . . 75.0 107.643 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -54.95 -43.76 73.7 Favored 'General case' 0 C--O 1.196 -1.755 0 C-N-CA 128.4 2.68 . . . . 50.0 111.331 171.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.46 -38.26 71.29 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 119.652 -1.905 . . . . 50.0 110.071 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.18 -26.09 68.14 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.335 1.235 . . . . 50.0 114.335 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.52 -27.48 66.22 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 75.0 111.361 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.14 -16.75 63.72 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 113.954 1.094 . . . . 50.0 113.954 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -93.3 -7.43 44.96 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.58 0.705 . . . . 50.0 110.014 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -87.53 -30.71 20.37 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.068 -2.197 . . . . 50.0 105.068 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.363 1.159 0 O-C-N 118.965 -2.335 . . . . 50.0 112.626 -169.126 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 . . . . . 0 C--O 1.209 -1.056 0 CA-C-O 126.634 3.111 . . . . 25.0 114.171 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.36 137.79 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 110.788 -2.914 . . . . 25.0 107.835 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -76.55 21.13 0.2 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.205 1.187 . . . . 50.0 114.205 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -77.71 -176.89 4.57 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.137 -0.938 . . . . 50.0 109.406 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -70.31 -9.15 55.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.608 0.966 . . . . 75.0 113.608 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt 51.44 63.3 2.3 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.536 0.939 . . . . 25.0 113.536 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -101.62 161.09 13.9 Favored 'General case' 0 C--O 1.274 2.352 0 N-CA-C 113.661 0.985 . . . . 50.0 113.661 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.157 0 CA-C-O 123.1 1.428 . . . . 75.0 110.063 174.318 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t -59.83 -33.28 71.56 Favored 'General case' 0 C--N 1.379 1.852 0 O-C-N 117.949 -2.969 . . . . 50.0 113.206 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -69.93 -31.08 68.65 Favored 'General case' 0 C--O 1.207 -1.164 0 O-C-N 121.59 -0.694 . . . . 50.0 109.72 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.09 -49.14 68.62 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.928 -1.878 . . . . 50.0 105.928 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 t -66.02 -37.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.027 -0.269 . . . . 25.0 110.768 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.95 -47.29 81.05 Favored 'General case' 0 CA--C 1.561 1.37 0 N-CA-C 109.158 -0.682 . . . . 50.0 109.158 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.56 99.56 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 122.086 -0.384 . . . . 25.0 110.931 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -43.5 96.87 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 118.439 -0.791 . . . . 50.0 110.528 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -63.76 -42.14 97.86 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.44 -37.48 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.894 1.442 . . . . 50.0 114.894 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.4 -28.28 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 122.638 1.209 . . . . 50.0 112.866 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.35 -39.38 25.17 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.074 -0.966 . . . . 50.0 112.105 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.45 -147.96 17.34 Favored Glycine 0 C--O 1.19 -2.601 0 CA-C-O 124.382 2.101 . . . . 25.0 111.176 -172.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.12 79.64 1.75 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.845 -1.678 . . . . 50.0 110.974 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 43.11 58.34 3.35 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 125.684 1.865 . . . . 50.0 113.27 172.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.42 24.99 9.91 Favored Glycine 0 C--O 1.196 -2.265 0 N-CA-C 110.278 -1.129 . . . . 50.0 110.278 172.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -149.59 169.63 20.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -123.96 164.73 18.72 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 122.242 1.02 . . . . 50.0 110.141 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -74.29 -40.1 62.5 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 105.943 -1.873 . . . . 50.0 105.943 173.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -161.99 165.14 27.83 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 105.579 -2.008 . . . . 25.0 105.579 172.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -132.96 133.05 22.77 Favored Pre-proline 0 N--CA 1.475 0.807 0 CA-C-N 115.571 -0.741 . . . . 50.0 111.235 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -74.19 103.65 1.71 Allowed 'Trans proline' 0 CA--C 1.554 1.487 0 C-N-CA 115.21 -2.726 . . . . 50.0 111.072 173.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 125.92 2.772 . . . . 25.0 114.152 -179.211 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.537 5.42 0 CA-C-O 123.711 1.728 . . . . 25.0 112.761 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.62 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 CA-C-N 113.95 -1.125 . . . . 25.0 111.447 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.72 -33.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 122.311 1.053 . . . . 75.0 113.119 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -38.78 92.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.439 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -83.96 -35.41 23.99 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.687 0.995 . . . . 25.0 113.687 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.4 -16.17 18.49 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 116.637 2.088 . . . . 50.0 116.637 -175.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.65 -0.93 57.2 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.464 -1.398 . . . . 25.0 108.365 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -117.97 160.78 20.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 51.22 -153.66 0.17 Allowed 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 123.932 0.893 . . . . 50.0 112.036 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.7 mm -110.34 117.31 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.55 113.08 3.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.754 -1.202 . . . . 25.0 107.754 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -104.39 154.69 19.53 Favored 'General case' 0 C--O 1.199 -1.605 0 CA-C-O 121.875 0.845 . . . . 50.0 112.292 -173.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.3 mt -58.27 -38.23 76.54 Favored 'General case' 1 C--O 1.308 4.135 0 O-C-N 119.414 -2.054 . . . . 75.0 111.897 -175.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.99 -42.31 97.23 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 123.374 1.559 . . . . 50.0 109.1 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -65.1 -47.37 77.47 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.339 -1.755 . . . . 50.0 108.62 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt -55.43 -40.12 71.1 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.933 0.77 . . . . 50.0 112.943 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -63.61 -25.11 68.08 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 117.674 -1.155 . . . . 75.0 112.728 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -70.65 -31.76 68.81 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 119.913 1.233 . . . . 50.0 108.123 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -78.64 -7.55 57.75 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 113.499 0.926 . . . . 50.0 113.499 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t -77.94 -19.22 54.99 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.865 -1.161 . . . . 50.0 107.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--O 1.207 -1.136 0 CA-C-O 125.366 2.508 . . . . 50.0 111.328 -175.686 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 CA--C 1.557 1.248 0 CA-C-O 125.653 2.644 . . . . 25.0 114.8 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -114.77 126.08 72.24 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.542 0 C-N-CA 128.335 2.654 . . . . 25.0 108.31 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.89 131.14 55.56 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.699 -1.593 . . . . 50.0 106.699 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -165.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 105.171 -2.159 . . . . 50.0 105.171 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -64.77 137.29 57.7 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 104.916 -2.253 . . . . 75.0 104.916 165.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.26 128.45 43.26 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.979 0.8 . . . . 25.0 112.152 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.7 163.43 26.15 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 124.391 1.057 . . . . 50.0 109.408 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.775 0 C-N-CA 126.189 1.796 . . . . 75.0 112.876 171.703 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -47.22 -35.84 8.1 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 125.141 1.376 . . . . 50.0 113.174 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.47 -41.67 98.94 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 120.868 -1.145 . . . . 50.0 113.067 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.25 -38.76 78.62 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 115.266 -0.879 . . . . 50.0 109.027 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.82 -43.9 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 119.808 -0.757 . . . . 25.0 110.481 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -40.55 95.07 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.111 -0.636 . . . . 50.0 111.91 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.87 95.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -42.27 95.56 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-N 118.038 0.381 . . . . 50.0 110.153 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.47 -42.39 96.15 Favored 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.08 -40.81 98.76 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 121.03 -1.044 . . . . 50.0 112.419 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.2 t -64.09 -43.68 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 CA-C-N 115.935 -0.575 . . . . 50.0 111.871 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 -9.41 57.16 Favored 'General case' 0 C--O 1.27 2.143 0 N-CA-C 114.177 1.177 . . . . 50.0 114.177 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.52 -158.15 53.59 Favored Glycine 0 N--CA 1.429 -1.794 0 N-CA-C 109.297 -1.521 . . . . 25.0 109.297 -174.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.26 6.59 9.51 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.219 -1.166 . . . . 50.0 112.665 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -78.95 -26.99 43.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.405 0.548 . . . . 50.0 110.902 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 -176.04 51.47 Favored Glycine 0 N--CA 1.485 1.906 0 C-N-CA 120.047 -1.073 . . . . 50.0 114.622 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -141.71 16.79 2.16 Favored 'General case' 0 C--O 1.247 0.958 0 C-N-CA 124.413 1.085 . . . . 25.0 113.64 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -90.56 137.98 31.93 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.468 0.914 . . . . 50.0 113.468 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -77.66 -48.33 17.07 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 105.301 -2.111 . . . . 50.0 105.301 167.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -145.18 142.68 29.8 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-N 115.135 -0.939 . . . . 25.0 108.489 171.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -85.14 115.52 61.53 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 103.189 -2.893 . . . . 50.0 103.189 173.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.6 115.64 2.68 Favored 'Trans proline' 0 C--O 1.193 -1.729 0 C-N-CA 117.825 -0.983 . . . . 50.0 113.96 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.311 -1.074 0 CA-C-O 122.901 1.334 . . . . 25.0 110.251 -177.259 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.288 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.9 mt -60.03 -41.53 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.207 -1.172 . . . . 25.0 110.843 -172.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.5 t -61.43 -54.26 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-O 118.249 -0.881 . . . . 75.0 109.133 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.48 -44.12 95.32 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.944 0.777 . . . . 25.0 110.84 -173.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -67.9 -35.47 78.55 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 118.2 0.454 . . . . 25.0 112.159 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.5 m -81.72 -21.23 38.07 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.555 0.946 . . . . 50.0 113.555 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.7 m -82.61 -40.91 20.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 O-C-N 120.026 -1.671 . . . . 25.0 109.475 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -84.15 -16.06 44.87 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 120.689 -1.257 . . . . 25.0 112.219 -176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -147.9 162.68 38.8 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 119.307 0.958 . . . . 50.0 110.966 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.77 131.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.92 163.63 23.22 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 104.412 -2.44 . . . . 25.0 104.412 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.34 168.91 18.76 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 115.473 1.657 . . . . 50.0 115.473 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.93 -38.81 83.46 Favored 'General case' 1 C--O 1.323 4.934 0 CA-C-N 114.273 -1.331 . . . . 75.0 112.342 -169.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -52.13 -50.34 61.92 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 123.312 1.529 . . . . 50.0 111.329 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -68.72 -37.91 79.81 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 120.483 -1.385 . . . . 50.0 111.047 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.08 -35.71 69.71 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.656 0.984 . . . . 50.0 113.656 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.51 -31.04 69.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.546 -0.752 . . . . 75.0 111.405 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -70.52 -9.06 55.74 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 120.448 -1.408 . . . . 50.0 114.439 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -100.09 8.06 44.2 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 123.45 0.7 . . . . 50.0 110.187 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -155.91 -139.51 0.08 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.15 -1.796 . . . . 50.0 106.15 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 123.25 1.5 . . . . 50.0 108.222 174.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.203 -1.389 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.79 143.87 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 121.869 0.842 . . . . 25.0 109.923 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -85.34 84.14 7.75 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.027 -1.046 . . . . 50.0 108.973 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -135.31 -179.96 5.95 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 106.323 -1.732 . . . . 50.0 106.323 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -70.04 154.01 42.48 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.85 -1.537 . . . . 75.0 106.85 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.73 112.97 18.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.1 -179.2 5.52 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.563 0.697 . . . . 50.0 111.501 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.615 3.461 0 C-N-CA 126.158 1.783 . . . . 75.0 112.609 -179.577 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t -75.71 -21.27 57.71 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 107.009 -1.478 . . . . 50.0 107.009 -175.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -34.04 77.0 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 124.315 1.009 . . . . 50.0 113.201 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -34.19 67.86 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.286 -1.746 . . . . 50.0 106.286 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.66 -43.77 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 121.808 0.814 . . . . 25.0 109.516 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -64.53 -37.27 86.98 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 115.064 -0.971 . . . . 50.0 109.558 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.34 92.83 Favored 'General case' 0 C--O 1.257 1.496 0 O-C-N 120.739 -1.226 . . . . 25.0 112.257 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.43 -45.0 92.79 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 124.805 1.316 . . . . 50.0 110.307 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -65.16 -35.91 82.59 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 121.551 -0.718 . . . . 25.0 112.846 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.79 -44.94 69.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.503 0.557 . . . . 50.0 112.503 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -75.62 -30.51 21.86 Favored 'Isoleucine or valine' 0 C--O 1.258 1.55 0 CA-C-O 121.0 0.428 . . . . 50.0 111.807 -174.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.04 -36.12 28.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 118.749 -1.18 . . . . 50.0 112.327 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.04 -174.54 24.35 Favored Glycine 0 C--N 1.305 -1.141 0 CA-C-O 122.843 1.246 . . . . 25.0 112.308 -172.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.04 7.58 0.53 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 125.389 1.476 . . . . 50.0 114.06 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -75.3 -29.78 60.17 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 124.541 1.151 . . . . 50.0 109.789 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.35 170.79 47.54 Favored Glycine 0 C--O 1.205 -1.709 0 CA-C-O 117.708 -1.607 . . . . 50.0 114.446 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -125.99 -43.57 1.82 Allowed 'General case' 0 C--O 1.201 -1.466 0 CA-C-N 118.487 1.144 . . . . 25.0 113.675 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -153.8 159.11 41.76 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.733 -0.667 . . . . 50.0 110.494 -177.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.3 29.73 6.57 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.022 -1.103 . . . . 50.0 108.022 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -139.34 144.42 38.23 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 172.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -144.54 117.31 5.55 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 108.355 -0.979 . . . . 50.0 108.355 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.76 113.02 3.69 Favored 'Trans proline' 0 C--O 1.249 1.039 0 CA-C-O 123.052 1.189 . . . . 50.0 110.327 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.354 0.768 0 C-N-CA 119.094 -1.043 . . . . 25.0 113.607 -179.746 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.681 0 CA-C-O 126.513 3.285 . . . . 25.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.8 mt -51.24 -58.78 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.63 0 CA-C-N 112.355 -1.922 . . . . 25.0 113.482 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.57 -40.83 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 108.422 -0.955 . . . . 75.0 108.422 -172.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.92 -49.01 78.22 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 118.74 -0.648 . . . . 25.0 110.685 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.29 -34.4 77.31 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -76.5 -40.09 51.21 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 114.557 1.317 . . . . 50.0 114.557 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.34 -32.79 73.61 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.578 1.695 . . . . 25.0 115.578 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 t -82.45 142.61 31.77 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t 53.69 -175.84 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 124.598 2.142 . . . . 50.0 113.905 -167.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -78.22 123.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 114.365 -1.289 . . . . 25.0 107.818 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.57 160.95 14.11 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.578 0.751 . . . . 25.0 112.197 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.9 p -148.46 157.83 43.72 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.229 0.538 . . . . 50.0 110.75 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.02 -33.14 70.4 Favored 'General case' 1 C--O 1.312 4.372 0 CA-C-O 124.496 2.093 . . . . 75.0 109.364 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -60.7 -36.6 79.19 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 117.046 -3.534 . . . . 50.0 113.826 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -76.54 -37.28 56.88 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 119.448 -2.032 . . . . 50.0 111.418 174.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.78 -35.85 77.49 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.049 0.389 . . . . 50.0 112.049 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.02 -22.15 62.25 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 116.629 2.085 . . . . 75.0 116.629 171.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.85 -11.97 60.8 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.533 -0.867 . . . . 50.0 112.309 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -98.18 3.48 49.02 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 121.438 -0.789 . . . . 50.0 111.114 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.7 m -104.65 177.28 4.89 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 106.737 -1.579 . . . . 50.0 106.737 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.0 t30 . . . . . 0 C--O 1.204 -1.322 0 O-C-N 119.5 -2.0 . . . . 50.0 115.811 173.463 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 116.158 1.911 . . . . 25.0 116.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 p -132.07 146.77 32.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 N-CA-C 105.271 -2.122 . . . . 25.0 105.271 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -91.34 74.97 6.09 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 107.602 -1.258 . . . . 50.0 107.602 -176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.08 -163.34 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 50.0 111.204 -170.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.56 82.62 1.11 Allowed 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 108.464 -0.939 . . . . 75.0 108.464 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.65 122.94 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 106.044 -1.835 . . . . 25.0 106.044 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -143.06 175.67 9.68 Favored 'General case' 0 C--O 1.255 1.365 0 N-CA-C 114.371 1.249 . . . . 50.0 114.371 -177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.588 2.427 0 C-N-CA 128.237 2.615 . . . . 75.0 111.78 176.491 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.0 t -60.08 -33.24 71.81 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 122.294 1.045 . . . . 50.0 110.077 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -63.52 -31.81 73.08 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 120.343 -1.473 . . . . 50.0 113.758 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.25 -44.12 84.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.694 -0.802 . . . . 50.0 110.406 171.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.0 -46.41 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.76 -44.69 90.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.633 -1.167 . . . . 50.0 112.061 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -34.56 62.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.564 -0.71 . . . . 25.0 110.947 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.04 -44.99 87.27 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 118.22 -1.392 . . . . 50.0 112.039 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -58.8 -41.62 87.16 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 121.385 0.612 . . . . 25.0 110.63 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.43 -50.65 71.97 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.094 -0.957 . . . . 50.0 113.182 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.49 -29.77 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 119.424 1.011 . . . . 50.0 112.327 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -40.72 47.27 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.306 -0.871 . . . . 50.0 109.789 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.85 -171.83 21.21 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 114.884 -1.053 . . . . 25.0 114.899 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -16.88 63.94 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.157 -1.79 . . . . 50.0 113.061 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -13.41 40.99 Favored 'General case' 0 C--O 1.2 -1.54 0 N-CA-C 114.698 1.37 . . . . 50.0 114.698 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.21 -172.13 50.34 Favored Glycine 0 CA--C 1.499 -0.965 0 C-N-CA 120.334 -0.936 . . . . 50.0 115.347 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -144.11 166.08 26.02 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -116.42 170.94 8.17 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.163 -0.68 . . . . 50.0 109.163 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.8 21.86 0.64 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.79 1.236 . . . . 50.0 112.631 -174.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.5 p 72.92 157.3 0.18 Allowed 'General case' 0 C--O 1.206 -1.197 0 C-N-CA 127.639 2.375 . . . . 25.0 114.504 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -95.48 139.57 22.01 Favored Pre-proline 0 C--O 1.204 -1.296 0 N-CA-C 107.323 -1.362 . . . . 50.0 107.323 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.84 113.11 3.56 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 117.792 -1.005 . . . . 50.0 111.108 166.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.199 -1.587 0 CA-C-O 124.031 1.872 . . . . 25.0 110.788 -172.127 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 CA-C-O 125.672 2.818 . . . . 25.0 112.575 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.89 -35.92 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 CA-C-N 110.835 -2.682 . . . . 25.0 110.32 -175.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.18 -45.36 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 O-C-N 120.309 -1.495 . . . . 75.0 109.68 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -71.7 -41.67 68.32 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.59 -0.694 . . . . 25.0 111.287 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -62.1 -41.94 98.72 Favored 'General case' 0 CA--C 1.578 2.049 0 N-CA-C 114.899 1.444 . . . . 25.0 114.899 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.02 -7.09 10.9 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.459 2.022 . . . . 50.0 116.459 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.86 -29.53 50.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.222 -2.174 . . . . 25.0 109.069 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -104.28 -4.11 23.39 Favored 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -135.0 162.27 32.91 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.269 -0.895 . . . . 50.0 110.5 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mm -73.14 128.12 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 119.405 -0.331 . . . . 25.0 110.269 172.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m -127.55 151.98 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 m -115.6 170.97 8.03 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.105 0.78 . . . . 50.0 113.105 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.54 -35.21 62.97 Favored 'General case' 1 C--O 1.312 4.387 0 C-N-CA 124.061 0.945 . . . . 75.0 111.306 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -61.12 -37.62 83.43 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 117.018 -3.551 . . . . 50.0 114.212 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -75.42 -37.65 60.31 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 114.981 -1.009 . . . . 50.0 110.128 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.76 -24.77 67.66 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 117.799 -1.56 . . . . 50.0 113.081 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.11 -28.64 62.86 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 121.728 -0.607 . . . . 75.0 111.339 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -66.13 -15.96 63.55 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.636 -0.665 . . . . 50.0 111.213 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -106.62 8.48 31.2 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.587 0.708 . . . . 50.0 109.507 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.9 m -107.54 -174.14 2.46 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 102.005 -3.331 . . . . 50.0 102.005 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 . . . . . 0 C--N 1.355 0.843 0 CA-C-O 127.871 3.7 . . . . 50.0 111.32 174.879 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 122.94 1.352 . . . . 25.0 112.598 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.94 126.06 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 113.926 -1.488 . . . . 25.0 108.858 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -73.97 128.77 36.39 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.301 -0.874 . . . . 50.0 112.139 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -156.31 -173.19 4.39 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 107.715 -1.217 . . . . 50.0 107.715 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.42 149.92 47.82 Favored 'General case' 0 C--O 1.194 -1.844 0 N-CA-C 106.887 -1.523 . . . . 75.0 106.887 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -129.26 105.88 8.44 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 122.807 0.443 . . . . 25.0 110.383 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -128.12 159.71 34.27 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.265 -1.013 . . . . 50.0 108.265 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.101 0 CA-C-O 123.464 1.602 . . . . 75.0 111.226 174.604 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t -55.73 -34.62 65.33 Favored 'General case' 0 C--N 1.403 2.892 0 O-C-N 118.345 -2.722 . . . . 50.0 113.841 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.53 -39.4 94.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.201 1.001 . . . . 50.0 109.141 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.2 -47.16 80.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.757 -1.111 . . . . 50.0 108.724 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.6 -47.63 92.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.19 -41.44 90.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.974 0.91 . . . . 50.0 112.678 -177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.05 90.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.437 1.017 . . . . 25.0 109.578 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.15 -43.68 86.29 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.721 -1.214 . . . . 50.0 107.721 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.44 -42.68 99.63 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.848 0.718 . . . . 25.0 110.11 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.39 -41.32 98.57 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.912 -0.492 . . . . 50.0 112.204 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.31 -29.04 15.01 Favored 'Isoleucine or valine' 0 C--O 1.251 1.134 0 O-C-N 121.337 -0.852 . . . . 50.0 111.147 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -20.01 56.42 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 176.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.81 -171.7 54.63 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 107.989 -2.044 . . . . 25.0 107.989 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.36 -6.13 22.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.61 -0.795 . . . . 50.0 110.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -21.06 64.32 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 123.259 0.35 . . . . 50.0 111.122 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.13 -179.97 53.33 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 111.334 -0.706 . . . . 50.0 111.334 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -143.44 168.33 20.09 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 114.583 -0.808 . . . . 25.0 109.69 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -127.4 23.76 6.33 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.897 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -63.43 -33.33 75.33 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.338 -0.986 . . . . 50.0 108.338 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -162.05 165.96 26.54 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 102.13 -3.285 . . . . 25.0 102.13 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -86.5 124.08 70.18 Favored Pre-proline 0 C--O 1.208 -1.081 0 C-N-CA 118.9 -1.12 . . . . 50.0 109.242 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -75.23 72.0 4.95 Favored 'Trans proline' 0 CA--C 1.557 1.632 0 O-C-N 123.149 1.078 . . . . 50.0 112.038 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 125.091 2.377 . . . . 25.0 113.98 179.175 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.517 4.082 0 CA-C-O 125.113 2.507 . . . . 25.0 113.687 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.69 -50.37 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.99 0 O-C-N 120.816 -1.402 . . . . 25.0 110.678 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -72.03 -33.15 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.59 0 C-N-CA 118.382 -1.327 . . . . 75.0 110.512 -174.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.13 -35.99 81.96 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.221 1.01 . . . . 25.0 109.926 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -76.12 -47.63 23.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.574 -0.739 . . . . 25.0 111.315 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -109.64 -26.77 9.72 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 118.663 2.838 . . . . 50.0 118.663 -166.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.3 m -91.83 -18.58 23.61 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 119.957 -1.714 . . . . 25.0 112.918 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -116.77 -8.05 11.43 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.901 1.334 . . . . 25.0 110.221 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.9 m -136.12 -176.94 4.48 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 105.552 -2.018 . . . . 50.0 105.552 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -106.19 135.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 174.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.41 170.17 15.88 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m -129.65 168.79 15.93 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 113.997 1.11 . . . . 50.0 113.997 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mp -58.83 -30.28 67.53 Favored 'General case' 1 C--O 1.359 6.852 0 C-N-CA 128.288 2.635 . . . . 75.0 110.706 -171.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -58.61 -51.37 70.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 118.643 -2.536 . . . . 50.0 110.96 174.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -66.78 -36.35 82.21 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.829 -0.623 . . . . 50.0 109.321 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.39 -28.81 70.04 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.51 0.93 . . . . 50.0 113.51 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.68 -24.41 63.91 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.313 0.486 . . . . 75.0 112.313 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.11 -22.57 64.88 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.89 -0.724 . . . . 50.0 111.986 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -87.23 0.41 55.4 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 123.298 1.523 . . . . 50.0 109.466 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -96.21 -176.87 3.79 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 106.975 -1.491 . . . . 50.0 106.975 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 t30 . . . . . 0 C--O 1.183 -2.413 0 CA-C-O 126.828 3.204 . . . . 50.0 109.075 168.565 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 125.77 2.7 . . . . 25.0 114.785 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.59 161.83 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 105.252 -2.129 . . . . 25.0 105.252 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -75.88 10.45 1.84 Allowed 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 113.001 0.741 . . . . 50.0 113.001 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.85 179.32 4.94 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.498 -1.297 . . . . 50.0 107.498 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -56.79 132.48 52.4 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.713 -1.242 . . . . 75.0 108.3 170.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.45 105.77 11.96 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.21 -170.37 3.63 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 103.89 -2.633 . . . . 50.0 103.89 177.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 1.556 0 C-N-CA 126.89 2.076 . . . . 75.0 109.876 -178.368 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -60.62 -25.48 66.31 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 119.581 -1.949 . . . . 50.0 111.64 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -60.05 -43.4 95.41 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.043 0.925 . . . . 50.0 111.642 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -48.26 74.13 Favored 'General case' 0 C--O 1.204 -1.298 0 O-C-N 120.977 -1.077 . . . . 50.0 109.193 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.18 -39.59 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 125.248 1.592 . . . . 25.0 110.052 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.62 -41.4 72.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 50.0 111.359 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.13 86.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.285 -0.87 . . . . 25.0 112.295 174.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 6.5 mt -66.91 -43.01 84.49 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.691 -1.14 . . . . 50.0 109.452 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -58.25 -38.93 77.88 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 119.421 -0.323 . . . . 25.0 110.588 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.95 -35.73 69.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.947 -1.095 . . . . 50.0 113.664 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 m -81.34 -21.62 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 124.198 0.937 . . . . 50.0 112.52 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.61 -41.32 8.97 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 118.711 -0.661 . . . . 50.0 112.158 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.65 -177.19 21.17 Favored Glycine 0 C--O 1.255 1.409 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -60.74 -26.71 67.39 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.099 -1.236 . . . . 50.0 112.534 -173.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -13.36 28.69 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.456 0.91 . . . . 50.0 113.456 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.44 -164.47 49.31 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 119.686 -1.245 . . . . 50.0 111.894 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.405 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 49.5 p90 -148.67 165.8 30.27 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 125.696 1.599 . . . . 25.0 107.729 -176.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -101.06 163.6 12.21 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 123.989 0.916 . . . . 50.0 112.819 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -128.68 115.99 18.88 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 104.182 -2.525 . . . . 50.0 104.182 171.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.7 m 73.5 130.05 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.403 1.081 . . . . 25.0 113.621 -172.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -63.93 119.87 58.8 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 118.937 -0.554 . . . . 50.0 111.941 -175.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.28 112.32 3.52 Favored 'Trans proline' 0 C--O 1.221 -0.363 0 C-N-CA 116.602 -1.799 . . . . 50.0 110.509 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.211 -0.939 0 CA-C-O 123.437 1.589 . . . . 25.0 111.222 -176.233 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.183 -3.045 0 N-CA-C 116.796 1.479 . . . . 25.0 116.796 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.14 -63.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.87 -29.34 33.19 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.091 0 C-N-CA 119.615 -0.834 . . . . 75.0 113.07 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -60.42 -36.99 79.47 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.798 -1.556 . . . . 25.0 106.798 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -78.97 -57.33 3.8 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.41 -13.15 60.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.724 3.231 . . . . 50.0 119.724 -172.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.3 -24.75 46.55 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.376 -0.93 . . . . 25.0 109.627 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -107.93 -29.49 9.0 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.48 0.582 . . . . 25.0 110.388 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -110.72 -179.86 3.87 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.853 -0.612 . . . . 50.0 111.45 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.1 mm -101.17 127.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.263 1.782 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.98 132.45 56.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.838 -0.539 . . . . 25.0 111.409 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -92.94 159.91 15.13 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.065 -1.087 . . . . 50.0 108.065 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.66 -26.76 68.81 Favored 'General case' 1 C--O 1.346 6.177 0 O-C-N 120.554 -1.341 . . . . 75.0 110.136 174.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.42 -40.01 77.4 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 116.504 -3.873 . . . . 50.0 111.152 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.95 -38.87 52.46 Favored 'General case' 0 C--N 1.377 1.761 0 O-C-N 118.688 -2.508 . . . . 50.0 109.428 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.72 -29.82 68.39 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.11 0.782 . . . . 50.0 113.11 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.42 -31.5 67.78 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 124.933 1.396 . . . . 75.0 112.288 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -64.86 -26.95 68.55 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.782 -1.199 . . . . 50.0 112.611 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -76.21 -11.99 60.02 Favored 'General case' 0 C--O 1.204 -1.292 0 C-N-CA 119.865 -0.734 . . . . 50.0 111.921 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -15.05 14.77 Favored 'General case' 0 C--O 1.199 -1.6 0 CA-C-O 121.59 0.71 . . . . 50.0 111.641 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 N--CA 1.507 2.409 0 CA-C-O 123.47 1.605 . . . . 50.0 114.781 -176.522 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.673 1.702 . . . . 25.0 115.298 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -83.12 129.03 38.15 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -123.21 -171.84 2.38 Favored 'General case' 0 CA--C 1.488 -1.423 0 N-CA-C 108.829 -0.804 . . . . 50.0 108.829 -178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.0 -153.8 0.49 Allowed 'General case' 0 C--O 1.262 1.728 0 N-CA-C 105.979 -1.86 . . . . 50.0 105.979 170.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -73.35 145.23 46.1 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.636 -1.246 . . . . 75.0 107.636 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.66 124.64 34.14 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 107.421 -1.325 . . . . 25.0 107.421 -173.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.49 -52.9 0.18 Allowed 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 113.777 1.028 . . . . 50.0 113.777 -175.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.531 3.625 0 C-N-CA 126.475 1.91 . . . . 75.0 113.344 179.308 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -47.9 -35.3 10.29 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 126.224 1.81 . . . . 50.0 115.436 174.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.0 -30.3 65.97 Favored 'General case' 0 C--O 1.194 -1.828 0 CA-C-N 114.44 -1.254 . . . . 50.0 110.54 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.5 -41.87 65.45 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.185 -1.413 . . . . 50.0 107.185 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.51 -43.25 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.272 0.558 . . . . 25.0 109.578 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.07 -38.74 92.39 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 121.68 0.752 . . . . 50.0 109.979 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.56 86.62 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 121.118 -0.989 . . . . 25.0 111.04 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.63 -40.64 80.21 Favored 'General case' 0 C--O 1.201 -1.454 0 N-CA-C 107.241 -1.392 . . . . 50.0 107.241 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.95 -47.97 83.18 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 118.157 -0.925 . . . . 25.0 111.768 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.33 -38.78 90.79 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 114.503 1.297 . . . . 50.0 114.503 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -81.6 -26.86 9.97 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 O-C-N 121.37 -0.831 . . . . 50.0 112.071 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.49 -24.83 17.86 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 115.652 1.723 . . . . 50.0 115.652 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 -161.66 36.4 Favored Glycine 0 C--N 1.363 2.057 0 N-CA-C 110.219 -1.152 . . . . 25.0 110.219 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -91.89 25.61 2.72 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.126 1.899 . . . . 50.0 116.126 -175.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.64 -8.7 58.78 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 113.488 0.921 . . . . 50.0 113.488 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 161.21 36.92 Favored Glycine 0 C--O 1.25 1.119 0 C-N-CA 119.782 -1.199 . . . . 50.0 115.1 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -158.01 164.47 36.73 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.263 0.625 . . . . 25.0 109.621 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -93.49 -160.72 0.78 Allowed 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 122.355 1.074 . . . . 50.0 110.488 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.7 t80 53.61 73.99 0.34 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.73 1.752 . . . . 50.0 115.73 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.9 t -148.34 162.24 39.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 105.839 -1.911 . . . . 25.0 105.839 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -73.06 134.96 80.38 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 103.386 -2.82 . . . . 50.0 103.386 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.1 86.11 1.71 Allowed 'Trans proline' 0 C--O 1.259 1.538 0 CA-C-O 123.727 1.469 . . . . 50.0 114.681 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 124.921 2.296 . . . . 25.0 111.613 179.469 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.188 -2.737 0 CA-C-O 125.3 2.611 . . . . 25.0 115.258 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -54.53 -47.91 70.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 O-C-N 119.583 -2.128 . . . . 25.0 112.815 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -83.05 -18.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 117.481 -1.247 . . . . 75.0 111.706 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.73 -31.2 70.1 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 124.907 1.38 . . . . 25.0 108.659 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.65 -27.93 14.57 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -115.59 -4.46 12.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 121.274 3.805 . . . . 50.0 121.274 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.54 -16.05 58.89 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 123.301 1.524 . . . . 25.0 107.458 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -120.4 161.86 20.48 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 102.233 -3.247 . . . . 25.0 102.233 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 m 61.73 -160.63 0.3 Allowed 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 123.803 0.841 . . . . 50.0 110.603 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mm -127.54 120.05 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.5 156.81 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.902 -0.59 . . . . 25.0 109.497 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.4 m -135.0 175.95 9.11 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 105.66 -1.978 . . . . 50.0 105.66 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.98 -26.75 38.88 Favored 'General case' 1 C--O 1.351 6.441 0 C-N-CA 127.378 2.271 . . . . 75.0 111.608 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -53.34 -51.49 62.24 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 117.478 -3.264 . . . . 50.0 111.811 169.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -77.29 -33.29 55.75 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.477 -1.389 . . . . 50.0 111.252 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.66 -31.65 70.87 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 123.204 0.315 . . . . 50.0 111.396 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.46 -28.65 60.19 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.197 1.184 . . . . 75.0 114.197 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -68.63 -16.86 63.98 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 116.283 -0.417 . . . . 50.0 111.799 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -94.25 5.06 52.93 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.988 0.915 . . . . 50.0 111.151 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.0 m -80.08 4.13 18.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.478 1.132 . . . . 50.0 110.109 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 . . . . . 0 CA--C 1.563 1.446 0 CA-C-O 126.751 3.167 . . . . 50.0 109.508 174.862 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.206 -1.214 0 CA-C-O 124.91 2.29 . . . . 25.0 116.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 t -121.87 127.26 75.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 113.747 -1.569 . . . . 25.0 110.098 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -67.25 97.35 0.54 Allowed 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 113.06 0.763 . . . . 50.0 113.06 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.04 -176.69 6.12 Favored 'General case' 0 CA--C 1.57 1.713 0 O-C-N 124.471 1.107 . . . . 50.0 110.324 -176.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.67 78.55 6.23 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.136 -0.938 . . . . 75.0 110.497 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.96 112.26 1.6 Allowed 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.278 0.631 . . . . 25.0 112.484 -174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -142.79 178.45 7.64 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 114.792 -1.094 . . . . 50.0 109.69 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.288 0 O-C-N 125.724 1.89 . . . . 75.0 110.525 175.325 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t -51.49 -35.6 40.93 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 119.601 -1.937 . . . . 50.0 113.266 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -67.03 -41.68 86.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.728 -0.789 . . . . 50.0 110.554 -174.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.61 -44.02 91.91 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 115.137 -0.938 . . . . 50.0 110.342 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.13 -46.54 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -64.57 -44.07 91.88 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.056 0.455 . . . . 50.0 111.421 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.97 83.18 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-O 121.582 0.706 . . . . 25.0 111.954 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.9 -44.88 94.0 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 108.782 -0.821 . . . . 50.0 108.782 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.8 -41.71 91.81 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 118.403 0.547 . . . . 25.0 110.561 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.55 -46.87 77.84 Favored 'General case' 0 C--O 1.247 0.964 0 C-N-CA 120.466 -0.494 . . . . 50.0 111.052 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.82 -36.98 34.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 C-N-CA 119.284 -0.967 . . . . 50.0 112.093 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -21.42 51.86 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 122.274 1.035 . . . . 50.0 113.044 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 85.35 176.27 50.52 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 122.228 0.905 . . . . 25.0 111.955 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.88 7.89 1.04 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 118.777 -0.63 . . . . 50.0 111.836 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' B' ' 20' ' ' GLY . 30.7 mmt180 -67.32 -32.22 73.04 Favored 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 106.12 -1.808 . . . . 50.0 106.12 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.86 148.49 9.8 Favored Glycine 0 C--O 1.202 -1.862 0 N-CA-C 117.019 1.568 . . . . 50.0 117.019 172.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.445 ' C ' ' H ' ' B' ' 26' ' ' TYR . 26.7 p90 -109.74 -16.73 13.84 Favored 'General case' 0 C--O 1.199 -1.582 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -88.77 23.19 2.39 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 122.738 1.256 . . . . 50.0 108.244 175.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.445 ' H ' ' C ' ' B' ' 24' ' ' PHE . 39.8 t80 -67.0 -29.69 69.6 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 105.352 -2.092 . . . . 50.0 105.352 176.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -111.21 83.38 1.76 Allowed 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.122 -1.066 . . . . 25.0 108.122 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -66.05 145.9 99.01 Favored Pre-proline 0 N--CA 1.498 1.934 0 C-N-CA 120.251 -0.579 . . . . 50.0 110.807 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -69.12 98.31 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 116.531 -1.846 . . . . 50.0 111.855 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 125.08 2.372 . . . . 25.0 111.697 -178.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.626 0 CA-C-O 124.407 2.115 . . . . 25.0 115.531 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.8 mt -60.7 -38.07 77.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 113.801 -1.2 . . . . 25.0 109.485 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.68 -33.03 43.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.48 -0.888 . . . . 75.0 111.001 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.61 -39.46 93.76 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.49 -0.756 . . . . 25.0 108.967 173.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.11 -34.75 79.13 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 122.027 0.917 . . . . 25.0 111.94 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -42.31 83.7 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.235 -0.915 . . . . 50.0 111.221 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.09 -26.62 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 115.085 1.513 . . . . 25.0 115.085 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -89.37 -10.13 47.76 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.512 -0.742 . . . . 25.0 111.584 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -122.03 -161.73 0.95 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.267 -1.012 . . . . 50.0 108.267 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.02 120.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.1 m -74.47 155.76 37.66 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.331 -0.856 . . . . 25.0 111.412 -178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 m -137.42 157.92 45.53 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.653 -1.24 . . . . 50.0 107.653 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -52.84 -38.58 61.62 Favored 'General case' 1 C--O 1.335 5.556 0 C-N-CA 124.396 1.078 . . . . 75.0 112.329 -171.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.76 -44.24 96.71 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 118.091 -2.881 . . . . 50.0 114.983 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -70.11 -38.22 75.55 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.933 -1.73 . . . . 50.0 108.296 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.92 -35.1 66.24 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.064 0.852 . . . . 50.0 112.546 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.89 -29.53 20.25 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.037 1.125 . . . . 75.0 114.037 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -64.57 -21.42 66.69 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.312 0.506 . . . . 50.0 112.294 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.11 -6.66 50.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.011 -0.366 . . . . 50.0 110.011 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.62 -5.51 45.56 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 107.91 -1.144 . . . . 50.0 107.91 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.1 t30 . . . . . 0 C--O 1.2 -1.524 0 CA-C-O 123.659 1.695 . . . . 50.0 111.749 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 122.81 1.29 . . . . 25.0 114.349 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.1 t -111.2 130.59 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 104.884 -2.265 . . . . 25.0 104.884 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -133.35 -155.34 0.67 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.374 -1.713 . . . . 50.0 106.374 -173.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.66 -166.69 1.31 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 107.08 -1.452 . . . . 50.0 107.08 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -64.33 131.83 48.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.566 -1.642 . . . . 75.0 106.566 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 39.4 mt -115.82 108.84 16.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.155 0.502 . . . . 25.0 111.7 -176.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.98 170.05 16.43 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 106.711 -1.589 . . . . 50.0 106.711 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.365 0 C-N-CA 126.58 1.952 . . . . 75.0 110.158 -175.198 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.9 p -52.86 -28.64 23.93 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 124.628 1.171 . . . . 50.0 112.485 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -68.48 -39.54 81.33 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.267 -0.895 . . . . 50.0 111.583 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.55 -39.5 88.58 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.673 -0.492 . . . . 50.0 109.673 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.45 -40.4 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.264 0.554 . . . . 25.0 110.289 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -61.8 -43.45 98.83 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.76 -0.587 . . . . 50.0 111.029 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.156 -0.34 . . . . 25.0 111.231 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.65 -44.37 94.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.257 1.027 . . . . 50.0 110.672 173.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -63.01 -41.4 99.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.919 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -63.98 -41.6 97.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.239 0.459 . . . . 50.0 112.239 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 p -72.87 -29.0 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 121.145 -0.972 . . . . 50.0 111.293 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -35.0 36.85 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.057 -0.72 . . . . 50.0 109.057 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 174.68 17.46 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 111.357 -0.697 . . . . 25.0 111.357 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.63 -18.08 61.58 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 113.187 0.81 . . . . 50.0 113.187 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -9.96 59.72 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 121.347 -0.846 . . . . 50.0 112.236 177.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.2 -178.83 49.46 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-O 119.009 -0.884 . . . . 50.0 111.428 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.94 -37.62 10.13 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-O 122.08 0.943 . . . . 25.0 109.676 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -156.01 158.88 38.59 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 107.747 -1.205 . . . . 50.0 107.747 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -67.03 -48.62 67.79 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.122 -1.066 . . . . 50.0 108.122 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.49 101.07 11.15 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.108 -1.071 . . . . 25.0 108.108 176.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -82.8 115.81 60.6 Favored Pre-proline 0 N--CA 1.482 1.174 0 CA-C-N 116.332 -0.395 . . . . 50.0 111.025 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -79.19 85.79 1.8 Allowed 'Trans proline' 0 CA--C 1.535 0.564 0 CA-C-O 122.872 1.113 . . . . 50.0 113.541 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 C--O 1.208 -1.088 0 O-C-N 119.203 -2.186 . . . . 25.0 113.762 -179.794 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' HA2' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 1 N--CA 1.519 4.211 0 CA-C-O 123.267 1.481 . . . . 25.0 114.708 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.79 -41.27 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 113.671 -1.264 . . . . 25.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.35 -32.83 54.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 N-CA-C 112.371 0.508 . . . . 75.0 112.371 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' OE1' ' HA2' ' A' ' 1' ' ' GLY . 36.9 mt-10 -66.65 -45.51 78.76 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -66.67 -46.11 76.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -29.29 67.22 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.183 1.549 . . . . 50.0 115.183 -174.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.24 -13.06 61.43 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 118.13 -0.938 . . . . 25.0 110.807 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -123.46 -22.27 5.09 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.532 0.605 . . . . 25.0 110.697 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -122.44 165.87 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.192 -0.603 . . . . 50.0 109.605 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -79.46 131.61 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -96.22 152.24 18.75 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.371 1.045 . . . . 25.0 108.495 171.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -140.07 160.0 40.91 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 105.131 -2.174 . . . . 50.0 105.131 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.01 -32.81 68.29 Favored 'General case' 1 C--O 1.328 5.208 0 C-N-CA 117.884 -1.526 . . . . 75.0 111.276 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.53 -44.78 95.71 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.682 -2.511 . . . . 50.0 112.229 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.98 -45.89 91.64 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 123.903 0.752 . . . . 50.0 112.517 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.26 -29.66 68.94 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 114.492 1.293 . . . . 50.0 114.492 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 114.597 1.332 . . . . 75.0 114.597 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.14 -19.56 64.82 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 120.798 -1.189 . . . . 50.0 113.352 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -98.5 -1.46 41.15 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 108.063 -1.088 . . . . 50.0 108.063 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.85 -17.41 41.02 Favored 'General case' 0 C--O 1.184 -2.373 0 CA-C-O 122.608 1.194 . . . . 50.0 109.468 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 C--O 1.208 -1.12 0 C-N-CA 126.787 2.035 . . . . 50.0 116.493 -176.16 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 123.847 1.784 . . . . 25.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.52 119.2 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 O-C-N 118.685 -2.509 . . . . 25.0 109.979 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -80.97 128.73 34.02 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.016 -1.105 . . . . 50.0 108.016 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -156.54 -155.77 0.56 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 107.148 -1.427 . . . . 50.0 107.148 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -81.08 76.59 8.02 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.522 1.153 . . . . 75.0 108.643 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.81 66.67 4.35 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.6 -1.636 . . . . 25.0 110.487 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.38 -170.58 2.79 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 113.808 -1.542 . . . . 50.0 109.839 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.88 0 CA-C-N 113.327 -1.76 . . . . 75.0 110.528 177.022 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -67.41 -28.6 68.05 Favored 'General case' 0 C--N 1.376 1.724 0 O-C-N 120.29 -1.506 . . . . 50.0 111.804 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -58.19 -28.35 64.7 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.391 -0.814 . . . . 50.0 111.309 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.4 -47.42 86.16 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 118.372 0.533 . . . . 50.0 111.46 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.8 -43.49 93.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.629 -1.169 . . . . 25.0 108.363 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.72 -45.42 89.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 113.814 1.042 . . . . 50.0 113.814 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -36.1 80.13 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -70.02 -41.46 74.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.396 1.093 . . . . 50.0 111.898 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.67 -38.18 89.35 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 120.631 -1.293 . . . . 25.0 111.668 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.55 -50.34 65.55 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 121.897 -0.502 . . . . 50.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.06 -35.87 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 117.929 -1.508 . . . . 50.0 112.923 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.24 -18.21 34.68 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.874 -0.787 . . . . 50.0 108.874 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 167.66 42.8 Favored Glycine 0 C--O 1.202 -1.879 0 O-C-N 120.155 -1.591 . . . . 25.0 111.644 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -68.76 -16.44 63.8 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-O 121.119 0.485 . . . . 50.0 111.347 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.55 16.67 25.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.994 -1.113 . . . . 50.0 107.994 178.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.39 -151.31 3.7 Favored Glycine 0 N--CA 1.48 1.568 0 N-CA-C 116.28 1.272 . . . . 50.0 116.28 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.55 163.69 5.15 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 121.007 0.432 . . . . 25.0 111.012 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -128.94 156.68 43.37 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.524 -0.735 . . . . 50.0 109.29 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.99 32.12 6.1 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.492 0.663 . . . . 50.0 110.082 173.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 157.99 43.82 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -174.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -127.26 86.92 57.62 Favored Pre-proline 0 C--O 1.216 -0.678 0 N-CA-C 113.385 0.883 . . . . 50.0 113.385 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.39 97.8 0.62 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 CA-C-O 122.197 0.832 . . . . 50.0 113.613 173.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 O-C-N 119.204 -2.185 . . . . 25.0 112.118 -174.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.12 0 CA-C-O 123.161 1.423 . . . . 25.0 116.351 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -52.63 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 114.641 -0.78 . . . . 25.0 110.464 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.24 -33.56 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 115.534 -0.757 . . . . 75.0 111.411 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.49 -38.08 89.77 Favored 'General case' 0 C--O 1.245 0.866 0 O-C-N 124.076 0.86 . . . . 25.0 110.451 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.62 -46.48 31.38 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 118.366 -0.826 . . . . 25.0 112.941 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.54 -16.14 27.65 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 116.916 2.191 . . . . 50.0 116.916 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -87.1 -13.68 43.52 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-N 119.074 0.852 . . . . 25.0 110.589 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -102.94 152.15 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 106.212 -1.773 . . . . 25.0 106.212 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m 47.94 -155.98 0.06 Allowed 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.412 1.07 . . . . 50.0 110.486 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -126.95 111.26 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 118.726 -0.654 . . . . 25.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.02 161.86 15.64 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-O 122.629 1.204 . . . . 25.0 110.311 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -104.2 158.19 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.868 1.433 . . . . 50.0 114.868 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.37 -28.43 69.76 Favored 'General case' 1 C--O 1.371 7.49 0 O-C-N 118.586 -2.571 . . . . 75.0 111.191 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -59.36 -41.77 90.03 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 116.239 -4.038 . . . . 50.0 110.124 174.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -70.28 -41.96 72.71 Favored 'General case' 0 C--O 1.196 -1.759 0 CA-C-N 114.64 -1.164 . . . . 50.0 109.106 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.69 -38.06 69.17 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 118.513 0.597 . . . . 50.0 110.849 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.12 -16.03 49.6 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 115.519 1.674 . . . . 75.0 115.519 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -70.21 -25.46 63.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 118.497 -0.764 . . . . 50.0 111.686 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -84.92 9.29 14.81 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 124.904 1.377 . . . . 50.0 109.182 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -141.36 -171.11 3.22 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 121.418 -0.801 . . . . 50.0 111.117 -176.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 . . . . . 0 C--N 1.352 0.693 0 CA-C-O 125.643 2.64 . . . . 50.0 110.022 171.765 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 N--CA 1.506 2.326 0 N-CA-C 115.685 1.735 . . . . 25.0 115.685 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.0 118.55 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -77.23 160.89 28.58 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.606 -0.684 . . . . 50.0 111.802 -172.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -174.68 3.2 Favored 'General case' 0 C--O 1.205 -1.277 0 N-CA-C 105.024 -2.213 . . . . 50.0 105.024 169.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -58.35 146.03 36.01 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 119.277 -0.969 . . . . 75.0 108.653 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.39 131.29 12.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.219 0.533 . . . . 25.0 109.891 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.05 -66.42 1.04 Allowed 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.088 -1.449 . . . . 50.0 107.088 -173.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.616 3.482 0 CA-C-N 111.696 -2.502 . . . . 75.0 112.544 -172.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.4 t -55.75 -26.79 47.46 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 126.705 2.002 . . . . 50.0 113.964 -175.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -57.04 -36.54 70.61 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.192 -0.943 . . . . 50.0 111.954 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -40.1 94.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 118.349 0.522 . . . . 50.0 111.029 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.21 -38.63 62.87 Favored 'Isoleucine or valine' 0 C--O 1.264 1.833 0 N-CA-C 107.466 -1.309 . . . . 25.0 107.466 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.62 -44.7 89.71 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.405 0.441 . . . . 50.0 109.821 177.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.61 96.87 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -45.98 90.48 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 118.608 0.64 . . . . 50.0 111.699 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -58.51 -46.1 87.44 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.723 -0.611 . . . . 25.0 112.399 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.28 -46.98 75.13 Favored 'General case' 0 CA--C 1.521 -0.155 0 O-C-N 123.86 0.725 . . . . 50.0 110.685 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.16 -31.66 45.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-O 121.41 0.624 . . . . 50.0 112.539 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.84 -35.84 14.56 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 120.89 -1.132 . . . . 50.0 113.828 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.59 -174.08 34.47 Favored Glycine 0 N--CA 1.428 -1.857 0 CA-C-O 122.524 1.069 . . . . 25.0 112.102 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -70.97 -0.18 8.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.519 1.303 . . . . 50.0 114.519 -168.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -33.99 77.15 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 120.327 -0.549 . . . . 50.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.9 160.77 36.84 Favored Glycine 0 C--O 1.193 -2.453 0 C-N-CA 120.376 -0.916 . . . . 50.0 114.116 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -126.49 -1.96 6.82 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 124.815 1.246 . . . . 25.0 110.272 -176.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -66.95 157.11 34.13 Favored 'General case' 0 C--O 1.273 2.298 0 N-CA-C 113.852 1.056 . . . . 50.0 113.852 -171.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -120.97 114.5 21.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 117.421 -1.276 . . . . 50.0 112.129 172.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.8 p 68.06 146.1 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.206 1.402 . . . . 25.0 111.736 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -76.75 119.67 78.4 Favored Pre-proline 0 N--CA 1.481 1.098 0 O-C-N 120.436 -1.415 . . . . 50.0 110.338 -167.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -82.11 73.23 5.78 Favored 'Trans proline' 0 C--O 1.205 -1.143 0 C-N-CA 121.808 1.672 . . . . 50.0 110.48 175.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.313 -1.006 0 CA-C-O 124.648 2.166 . . . . 25.0 112.639 -177.902 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.568 0 CA-C-O 125.206 2.559 . . . . 25.0 116.457 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 mt -63.38 -32.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 119.483 -2.186 . . . . 25.0 108.464 172.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.53 -36.87 76.02 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.983 0 O-C-N 121.095 -1.003 . . . . 75.0 111.005 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.64 -38.69 73.9 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -62.18 -37.67 86.16 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-O 121.75 0.786 . . . . 25.0 110.727 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.47 -41.87 72.18 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.663 -0.699 . . . . 50.0 109.675 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.1 -32.4 73.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 119.476 -0.89 . . . . 25.0 111.396 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -75.61 -7.46 54.31 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.23 -1.544 . . . . 25.0 109.028 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -116.79 -161.54 0.81 Allowed 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.718 -1.216 . . . . 50.0 107.718 172.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.2 mm -113.21 116.91 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.19 142.19 38.12 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.361 1.077 . . . . 25.0 109.53 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 m -119.9 159.28 24.97 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.184 -0.948 . . . . 50.0 109.182 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.99 -40.56 85.24 Favored 'General case' 1 C--O 1.334 5.514 0 C-N-CA 123.812 0.845 . . . . 75.0 111.984 -175.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -56.1 -40.33 73.51 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.826 -2.421 . . . . 50.0 112.551 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.3 -44.48 62.67 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 107.762 -1.199 . . . . 50.0 107.762 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.15 -30.84 66.67 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 113.801 -1.545 . . . . 50.0 111.141 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.43 -29.45 67.77 Favored 'General case' 0 C--O 1.193 -1.896 0 N-CA-C 115.341 1.608 . . . . 75.0 115.341 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.65 -19.2 62.82 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 119.519 -0.872 . . . . 50.0 111.124 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -79.43 -15.57 57.6 Favored 'General case' 0 C--O 1.206 -1.215 0 C-N-CA 118.869 -1.132 . . . . 50.0 111.06 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.51 154.88 22.43 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 122.042 0.925 . . . . 50.0 108.57 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 C--O 1.197 -1.675 0 CA-C-O 125.817 2.722 . . . . 50.0 110.686 178.351 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 124.041 1.877 . . . . 25.0 113.819 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.3 t -104.81 123.23 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 114.208 -1.36 . . . . 25.0 108.657 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -78.72 0.46 26.64 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 116.797 2.147 . . . . 50.0 116.797 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -76.49 -172.39 2.15 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.381 -1.34 . . . . 50.0 107.381 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -66.98 119.09 11.38 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.381 1.086 . . . . 75.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -84.19 125.08 31.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.437 -1.32 . . . . 25.0 107.437 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.0 175.18 10.64 Favored 'General case' 0 C--O 1.262 1.736 0 N-CA-C 102.231 -3.248 . . . . 50.0 102.231 177.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.423 0 C-N-CA 127.392 2.277 . . . . 75.0 113.054 177.053 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -50.35 -42.07 52.57 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.184 -1.573 . . . . 50.0 113.922 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -61.49 -43.43 98.88 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.285 -0.884 . . . . 50.0 112.013 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.63 -45.36 87.17 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.465 -1.243 . . . . 50.0 108.876 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.63 -44.74 79.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 -173.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -60.86 -46.78 89.23 Favored 'General case' 0 C--N 1.311 -1.099 0 O-C-N 121.815 -0.553 . . . . 50.0 111.298 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.48 88.99 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 122.029 -0.419 . . . . 25.0 111.823 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.28 -47.31 82.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.227 -0.897 . . . . 50.0 109.717 174.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.3 -35.8 80.2 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.979 -1.076 . . . . 25.0 110.502 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.79 -49.54 77.07 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.229 0.33 . . . . 50.0 110.847 174.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.56 -25.26 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 50.0 112.56 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -86.69 -29.79 22.19 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.014 -1.054 . . . . 50.0 112.914 177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 176.08 31.11 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 120.695 -1.253 . . . . 25.0 111.758 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.7 -16.91 62.3 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.209 -0.996 . . . . 50.0 113.542 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -20.71 66.19 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 124.205 0.941 . . . . 50.0 112.139 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 165.43 39.29 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-O 118.502 -1.166 . . . . 50.0 111.442 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -107.03 -53.38 2.62 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 124.415 0.715 . . . . 25.0 111.037 -177.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -152.59 170.05 21.15 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 120.753 -1.217 . . . . 50.0 108.509 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -71.91 -160.76 0.06 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.343 -1.299 . . . . 50.0 112.728 171.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 31.7 p -102.36 94.88 5.93 Favored 'General case' 0 C--O 1.193 -1.896 0 O-C-N 121.192 -0.942 . . . . 25.0 113.039 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -115.3 159.99 35.98 Favored Pre-proline 0 C--O 1.21 -1.017 0 N-CA-C 107.053 -1.462 . . . . 50.0 107.053 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.58 98.43 1.21 Allowed 'Trans proline' 0 C--O 1.204 -1.194 0 C-N-CA 115.492 -2.539 . . . . 50.0 114.556 170.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.395 0 CA-C-O 126.224 2.916 . . . . 25.0 113.54 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.589 0 CA-C-O 126.233 3.13 . . . . 25.0 116.386 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.18 -42.2 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 112.023 -2.088 . . . . 25.0 109.162 -177.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 p -64.07 -38.3 82.07 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.967 0 N-CA-C 108.199 -1.037 . . . . 75.0 108.199 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.83 -50.11 74.74 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 123.179 0.299 . . . . 25.0 110.915 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -69.66 -40.41 76.47 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.86 -27.15 14.42 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 119.299 3.074 . . . . 50.0 119.299 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.1 -29.69 70.06 Favored 'General case' 0 C--O 1.254 1.325 0 O-C-N 120.353 -1.467 . . . . 25.0 109.459 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -85.21 -0.84 55.91 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 122.822 1.296 . . . . 25.0 111.07 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -136.66 -162.6 1.3 Allowed 'General case' 0 C--O 1.247 0.948 0 N-CA-C 106.835 -1.543 . . . . 50.0 106.835 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -108.31 -37.58 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 121.831 0.824 . . . . 25.0 112.928 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 m 56.87 -159.94 0.23 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.932 0.893 . . . . 25.0 112.898 -176.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.9 p -155.94 160.33 40.01 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 123.149 1.452 . . . . 50.0 109.101 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.57 -28.29 69.24 Favored 'General case' 1 C--O 1.338 5.754 0 O-C-N 120.687 -1.258 . . . . 75.0 107.981 172.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.0 -41.09 91.5 Favored 'General case' 0 C--O 1.209 -1.071 1 O-C-N 114.914 -4.866 . . . . 50.0 112.892 175.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.96 -43.09 75.71 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 120.286 -1.509 . . . . 50.0 109.081 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -58.41 -33.84 70.11 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.838 0.711 . . . . 50.0 112.151 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.25 -17.83 13.47 Favored 'General case' 0 C--O 1.199 -1.587 0 N-CA-C 113.284 0.846 . . . . 75.0 113.284 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.59 -19.78 62.09 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.276 -0.869 . . . . 50.0 111.472 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.05 -9.43 48.54 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 119.417 1.008 . . . . 50.0 108.824 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -88.44 131.88 34.7 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 124.628 1.205 . . . . 50.0 113.946 -175.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--N 1.295 -1.779 0 CA-C-O 123.753 1.739 . . . . 50.0 112.109 176.685 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.517 2.923 0 CA-C-O 122.34 1.067 . . . . 25.0 112.57 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.82 140.52 36.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-N 115.199 -0.91 . . . . 25.0 110.207 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.17 124.9 38.48 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.764 0.792 . . . . 50.0 109.306 -175.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -133.27 -171.11 2.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 102.284 -3.228 . . . . 50.0 102.284 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -58.42 145.48 38.38 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.764 -0.828 . . . . 75.0 108.764 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.7 mt -116.5 100.56 7.94 Favored 'General case' 0 C--O 1.252 1.186 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.5 m -117.0 164.02 15.34 Favored 'General case' 0 N--CA 1.438 -1.055 0 O-C-N 124.519 1.137 . . . . 50.0 111.008 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.588 2.442 0 C-N-CA 129.018 2.927 . . . . 75.0 113.35 176.163 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -52.44 -42.4 64.11 Favored 'General case' 0 C--N 1.394 2.537 0 O-C-N 120.836 -1.165 . . . . 50.0 112.612 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 117.606 -1.188 . . . . 50.0 109.211 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.71 -46.16 89.95 Favored 'General case' 0 C--O 1.202 -1.434 0 O-C-N 124.233 0.958 . . . . 50.0 110.587 173.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.98 -44.65 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.582 0.706 . . . . 25.0 111.269 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.57 -42.45 92.49 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 120.795 -1.191 . . . . 50.0 110.838 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.21 93.95 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 118.819 0.736 . . . . 25.0 112.22 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.56 -42.77 99.33 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 121.71 0.767 . . . . 50.0 110.601 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.69 -45.4 75.25 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.096 -0.956 . . . . 25.0 110.554 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.96 -41.22 87.26 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 115.71 1.745 . . . . 50.0 115.71 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.33 -37.0 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 122.214 1.007 . . . . 50.0 111.629 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.3 t -77.92 -38.88 44.53 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 113.686 0.995 . . . . 50.0 113.686 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -145.6 17.79 Favored Glycine 0 C--O 1.265 2.071 0 N-CA-C 109.43 -1.468 . . . . 25.0 109.43 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -95.65 4.87 52.66 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 117.658 0.729 . . . . 50.0 111.318 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.04 -20.94 60.89 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.446 1.647 . . . . 50.0 115.446 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 144.18 14.16 Favored Glycine 0 C--O 1.22 -0.753 0 O-C-N 121.182 -0.949 . . . . 50.0 113.397 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -134.13 162.07 33.12 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 118.825 1.313 . . . . 25.0 108.458 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.8 -178.96 3.97 Favored 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 114.571 1.323 . . . . 50.0 114.571 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 67.42 15.2 9.84 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 125.367 1.467 . . . . 50.0 113.32 -176.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.78 152.23 31.39 Favored 'General case' 0 N--CA 1.447 -0.595 1 N-CA-C 100.162 -4.014 . . . . 25.0 100.162 175.486 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -116.94 154.84 49.72 Favored Pre-proline 0 C--O 1.239 0.522 0 O-C-N 124.267 0.979 . . . . 50.0 109.803 -175.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.7 82.9 2.29 Favored 'Trans proline' 0 C--O 1.203 -1.264 0 C-N-CA 121.542 1.495 . . . . 50.0 114.426 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.188 -2.149 0 CA-C-O 124.339 2.019 . . . . 25.0 111.985 179.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.468 -2.904 0 CA-C-O 127.316 3.731 . . . . 25.0 112.903 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 mt -53.73 -51.97 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 110.756 -2.722 . . . . 25.0 111.784 -173.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.54 -35.18 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 O-C-N 121.584 -0.697 . . . . 75.0 111.057 -177.28 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.22 -37.56 85.85 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 117.987 -1.006 . . . . 25.0 110.107 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.75 -36.2 20.29 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.992 1.269 . . . . 25.0 110.037 -174.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.67 -17.07 10.01 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 118.337 2.718 . . . . 50.0 118.337 -167.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.62 -48.74 5.68 Favored 'General case' 0 C--O 1.206 -1.218 0 C-N-CA 119.669 -0.812 . . . . 25.0 112.172 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -72.09 -12.97 61.45 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.228 -1.545 . . . . 25.0 109.139 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -128.05 -177.8 4.28 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 107.494 -1.298 . . . . 50.0 107.494 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.3 119.59 35.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 118.656 0.662 . . . . 25.0 110.664 175.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t -86.75 166.63 15.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -144.11 152.24 40.67 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.832 0.825 . . . . 50.0 113.11 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . 24.6 mt -59.95 -29.97 68.77 Favored 'General case' 1 C--O 1.323 4.933 0 CA-C-O 122.664 1.221 . . . . 75.0 112.404 178.628 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.52 -40.88 93.48 Favored 'General case' 0 C--O 1.19 -2.063 1 O-C-N 115.493 -4.504 . . . . 50.0 116.077 172.504 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.07 -36.77 75.21 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 112.584 -2.098 . . . . 50.0 106.563 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 4.7 mt -62.26 -32.71 73.45 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.724 0.639 . . . . 50.0 112.724 -179.507 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.32 -27.08 65.56 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 122.004 -0.435 . . . . 75.0 111.706 176.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -69.71 -13.37 62.26 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 113.872 1.064 . . . . 50.0 113.872 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -91.08 2.34 56.4 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.941 0.877 . . . . 50.0 108.834 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -138.48 -84.06 0.29 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.277 -0.874 . . . . 50.0 108.981 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 N--CA 1.425 -1.692 0 CA-C-O 126.869 3.223 . . . . 50.0 114.753 175.714 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 127.088 3.328 . . . . 25.0 119.673 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.2 t -77.79 119.08 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 112.979 -1.918 . . . . 25.0 108.109 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -85.6 88.22 7.5 Favored 'General case' 0 C--O 1.199 -1.581 0 O-C-N 121.295 -0.878 . . . . 50.0 109.461 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -136.65 -153.42 0.49 Allowed 'General case' 0 CA--C 1.571 1.78 0 CA-C-N 114.781 -1.099 . . . . 50.0 108.427 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -69.89 91.95 0.68 Allowed 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.559 -1.338 . . . . 75.0 109.679 172.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.9 111.29 18.65 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 m -129.3 174.24 9.79 Favored 'General case' 0 C--O 1.262 1.722 0 CA-C-N 115.644 -0.707 . . . . 50.0 109.455 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 2.756 0 C-N-CA 125.356 1.463 . . . . 75.0 111.048 177.467 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.5 p -67.94 -10.22 51.56 Favored 'General case' 0 C--O 1.257 1.494 0 O-C-N 120.909 -1.12 . . . . 50.0 112.335 179.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -63.47 -43.69 96.61 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 118.114 -1.434 . . . . 50.0 113.087 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.63 -41.68 98.24 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 114.157 -1.383 . . . . 50.0 109.517 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.08 -43.36 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 -177.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.08 -41.7 99.48 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.73 -0.841 . . . . 50.0 108.73 179.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.52 98.45 Favored 'General case' 0 CA--C 1.558 1.285 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.75 -44.61 92.95 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.311 -0.852 . . . . 50.0 109.949 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.95 -38.46 82.5 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-N 119.521 1.055 . . . . 25.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.98 -41.92 77.22 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 115.187 -0.915 . . . . 50.0 110.685 -177.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.93 -32.89 15.75 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.677 0 N-CA-C 113.572 0.953 . . . . 50.0 113.572 -177.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 t -81.74 -34.78 30.32 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.383 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.1 168.58 13.54 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 114.222 0.449 . . . . 25.0 114.222 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -2.64 15.45 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 119.687 -2.067 . . . . 50.0 110.704 -177.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -3.6 58.6 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 123.967 0.792 . . . . 50.0 109.845 -176.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.91 -173.14 48.69 Favored Glycine 0 CA--C 1.49 -1.483 0 N-CA-C 107.667 -2.173 . . . . 50.0 107.667 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.16 -26.45 2.85 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 115.501 1.667 . . . . 25.0 115.501 -175.293 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -161.56 -166.24 1.46 Allowed 'General case' 0 C--O 1.208 -1.129 0 N-CA-C 108.059 -1.089 . . . . 50.0 108.059 -169.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 t80 63.96 58.98 1.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.186 1.394 . . . . 50.0 110.754 -177.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.28 83.54 1.68 Allowed 'General case' 0 C--O 1.246 0.909 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -62.14 131.04 93.34 Favored Pre-proline 0 C--O 1.245 0.859 0 N-CA-C 115.275 1.583 . . . . 50.0 115.275 -169.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -78.65 92.75 1.12 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 CA-C-O 122.265 0.86 . . . . 50.0 113.34 176.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.211 -0.938 0 CA-C-O 126.474 3.035 . . . . 25.0 110.64 177.91 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 3.881 0 CA-C-O 127.398 3.777 . . . . 25.0 113.602 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 mt -65.49 -26.44 39.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 111.36 -2.42 . . . . 25.0 106.156 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.3 m -64.38 -38.31 82.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 121.508 -0.745 . . . . 75.0 109.984 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -77.04 -28.48 54.85 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 178.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.48 -37.14 77.12 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.98 -38.41 69.72 Favored 'General case' 0 C--O 1.195 -1.789 0 C-N-CA 122.854 0.462 . . . . 50.0 111.921 178.087 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -57.13 -40.39 77.06 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.491 1.116 . . . . 25.0 112.744 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -83.83 -6.3 59.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 122.75 1.262 . . . . 25.0 110.067 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -118.98 -156.4 0.65 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.058 -0.974 . . . . 50.0 109.707 179.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.09 121.76 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 N-CA-C 102.652 -3.092 . . . . 25.0 102.652 174.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.75 140.36 29.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.021 -0.991 . . . . 25.0 110.156 -176.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.6 p -96.02 155.24 16.84 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.879 -1.156 . . . . 50.0 107.879 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -58.11 -33.73 69.44 Favored 'General case' 1 C--O 1.339 5.811 0 O-C-N 118.766 -2.459 . . . . 75.0 111.366 174.415 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.26 -50.67 66.69 Favored 'General case' 0 C--O 1.202 -1.416 1 O-C-N 115.643 -4.411 . . . . 50.0 110.785 174.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.23 -40.76 96.71 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 121.102 -0.999 . . . . 50.0 111.505 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -34.58 69.45 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 118.944 0.793 . . . . 50.0 111.698 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.12 -17.93 65.03 Favored 'General case' 0 CA--C 1.484 -1.578 0 N-CA-C 114.973 1.472 . . . . 75.0 114.973 179.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -15.72 62.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 120.038 -0.665 . . . . 50.0 111.932 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -87.73 -8.6 55.84 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 119.34 -0.944 . . . . 50.0 110.177 174.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.92 -148.88 0.41 Allowed 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 105.511 -2.033 . . . . 50.0 105.511 -174.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 126.998 3.285 . . . . 50.0 111.642 -179.091 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 114.904 1.446 . . . . 25.0 114.904 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -114.98 154.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -103.43 11.8 36.05 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.836 -0.62 . . . . 50.0 112.519 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.26 -156.88 0.6 Allowed 'General case' 0 C--O 1.256 1.423 0 C-N-CA 122.791 0.436 . . . . 50.0 110.297 -176.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -57.81 147.52 28.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.063 1.134 . . . . 75.0 114.063 -178.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.1 mt -126.8 99.03 5.59 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.219 1.009 . . . . 25.0 109.291 172.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -130.55 161.61 31.12 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 114.522 -1.217 . . . . 50.0 111.818 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.586 2.359 0 O-C-N 126.148 2.155 . . . . 75.0 110.224 173.365 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -48.51 -39.1 22.06 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.79 -1.194 . . . . 50.0 113.376 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -70.84 -37.38 73.15 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.175 -1.578 . . . . 50.0 111.068 -175.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.44 -43.21 67.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 106.402 -1.703 . . . . 50.0 106.402 -175.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.62 -44.42 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.585 178.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.71 -42.45 86.35 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.904 -1.518 . . . . 50.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.45 -33.22 72.24 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.87 -37.2 48.72 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 115.566 -0.743 . . . . 50.0 111.879 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.69 -43.62 96.08 Favored 'General case' 0 C--O 1.275 2.432 0 CA-C-O 117.954 -1.022 . . . . 25.0 109.353 172.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.65 -44.66 89.74 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.665 1.228 . . . . 50.0 113.762 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.21 -29.61 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 119.802 -0.759 . . . . 50.0 111.687 -178.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.4 m -77.12 -37.72 53.57 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 118.761 -1.176 . . . . 50.0 110.866 178.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.09 -178.36 18.22 Favored Glycine 0 C--O 1.209 -1.455 0 N-CA-C 109.379 -1.488 . . . . 25.0 109.379 -175.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -65.83 -22.75 66.57 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 122.229 1.014 . . . . 50.0 113.336 -171.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -20.27 65.6 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.24 -0.891 . . . . 50.0 112.746 175.239 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.53 -153.9 52.93 Favored Glycine 0 C--O 1.203 -1.783 0 CA-C-O 122.429 1.016 . . . . 50.0 111.792 177.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -143.29 153.6 42.93 Favored 'General case' 0 C--O 1.25 1.087 0 N-CA-C 106.957 -1.498 . . . . 25.0 106.957 -175.323 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -98.4 137.72 36.69 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 122.719 1.247 . . . . 50.0 113.091 -173.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -125.09 -52.39 1.65 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 113.195 -1.82 . . . . 50.0 107.718 177.283 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -153.91 157.19 38.85 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 105.885 -1.894 . . . . 25.0 105.885 177.311 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -110.51 100.82 46.65 Favored Pre-proline 0 C--N 1.303 -1.451 0 CA-C-N 119.907 1.23 . . . . 50.0 110.246 -179.256 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.18 100.3 1.28 Allowed 'Trans proline' 0 CA--C 1.563 1.927 0 C-N-CA 116.866 -1.622 . . . . 50.0 113.182 175.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 125.321 2.486 . . . . 25.0 111.7 174.711 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.787 0 N-CA-C 111.066 -0.813 . . . . 25.0 111.066 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt -54.24 -42.22 55.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 121.241 -1.152 . . . . 25.0 111.207 176.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.5 -40.81 90.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.142 -0.974 . . . . 75.0 111.53 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -80.05 -19.91 46.51 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 118.259 0.481 . . . . 25.0 111.384 -178.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -89.06 -34.41 16.79 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.976 1.473 . . . . 25.0 114.976 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m -116.27 -22.0 9.06 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 118.192 2.664 . . . . 50.0 118.192 -176.151 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.65 -9.85 39.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.082 -1.011 . . . . 25.0 111.329 -175.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.99 135.02 40.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 166.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 t 52.91 -144.34 0.65 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-N 116.482 -0.326 . . . . 50.0 110.75 -176.111 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.02 127.44 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 121.031 -1.043 . . . . 25.0 108.661 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.33 127.95 36.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 122.274 1.035 . . . . 25.0 112.242 -175.893 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.322 0.582 . . . . 50.0 111.268 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -61.44 -32.7 72.69 Favored 'General case' 1 C--O 1.37 7.395 0 C-N-CA 126.443 1.897 . . . . 75.0 109.902 174.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.3 -34.34 75.07 Favored 'General case' 0 C--O 1.196 -1.752 0 O-C-N 117.509 -3.244 . . . . 50.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.17 -38.66 35.34 Favored 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 107.59 -1.263 . . . . 50.0 107.59 -179.108 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.41 -27.86 62.75 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 113.968 1.099 . . . . 50.0 113.968 176.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -63.65 -27.82 69.48 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 120.957 0.408 . . . . 75.0 112.097 175.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.48 -20.95 66.17 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.092 -1.005 . . . . 50.0 109.698 -179.118 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -84.33 3.16 37.02 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 t -125.5 -149.89 0.43 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.276 1.036 . . . . 50.0 109.399 178.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 . . . . . 0 C--O 1.199 -1.572 0 CA-C-O 124.468 2.08 . . . . 50.0 115.339 -179.818 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--O 1.176 -2.767 0 CA-C-O 121.665 0.745 . . . . 25.0 112.776 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 t -124.25 129.48 74.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 122.969 1.366 . . . . 25.0 110.138 -177.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -83.98 141.89 30.89 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.689 -1.597 . . . . 50.0 106.689 175.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.487 ' HG3' ' H ' ' B' ' 5' ' ' HIS . 6.3 tp-100 -157.07 -157.93 0.72 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.536 -0.913 . . . . 50.0 108.536 -177.646 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.487 ' H ' ' HG3' ' B' ' 4' ' ' GLN . 96.2 m-70 -73.69 69.81 1.33 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.508 1.123 . . . . 75.0 109.267 169.477 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.92 101.91 1.47 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.414 -171.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.52 -57.99 1.63 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.817 1.784 . . . . 50.0 115.817 -176.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.588 2.417 0 C-N-CA 128.349 2.66 . . . . 75.0 112.554 -174.752 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.6 t -56.93 -29.57 63.21 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 120.301 -1.5 . . . . 50.0 112.626 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -60.61 -36.46 78.65 Favored 'General case' 0 C--O 1.201 -1.484 0 O-C-N 118.899 -2.376 . . . . 50.0 115.059 172.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.86 -43.14 97.01 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.417 1.103 . . . . 50.0 109.237 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -61.33 -47.25 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.619 0 CA-C-N 114.904 -1.044 . . . . 25.0 109.385 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.0 -44.36 97.54 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.61 0.967 . . . . 50.0 113.61 175.4 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.83 83.35 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 121.924 -0.485 . . . . 25.0 111.764 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -43.35 96.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.202 0.525 . . . . 50.0 110.397 177.229 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.59 -41.57 98.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.621 -1.172 . . . . 25.0 109.899 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.0 -47.11 81.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 118.664 -0.684 . . . . 50.0 110.356 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.65 -27.46 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 120.022 -0.671 . . . . 50.0 109.999 -169.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.24 -19.8 17.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.5 -0.75 . . . . 50.0 111.496 -175.531 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.6 172.11 33.32 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 120.692 -1.255 . . . . 25.0 112.12 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -69.68 -4.92 21.63 Favored 'General case' 0 C--O 1.25 1.117 0 CA-C-O 118.374 -0.822 . . . . 50.0 112.514 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.94 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.976 0.797 . . . . 50.0 112.464 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.57 169.5 40.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.595 1.184 . . . . 50.0 115.301 179.351 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -140.33 19.39 2.4 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 122.152 0.977 . . . . 25.0 108.651 -175.284 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -68.77 149.47 48.97 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.005 1.483 . . . . 50.0 115.005 -173.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -105.76 -26.98 11.55 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 124.531 2.11 . . . . 50.0 109.631 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.8 p -105.19 132.68 51.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 113.426 -1.715 . . . . 25.0 107.087 174.282 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -61.49 149.28 84.27 Favored Pre-proline 0 CA--C 1.572 1.819 0 C-N-CA 119.323 -0.951 . . . . 50.0 112.329 -176.117 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -75.91 87.99 1.35 Allowed 'Trans proline' 0 C--O 1.204 -1.2 0 CA-C-N 119.667 0.917 . . . . 50.0 113.935 175.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 N--CA 1.427 -1.584 0 CA-C-O 122.009 0.909 . . . . 25.0 111.657 176.764 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.304 0 CA-C-O 124.145 1.969 . . . . 25.0 113.603 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.83 -42.5 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 114.279 -0.96 . . . . 25.0 110.512 -177.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.947 -0.569 . . . . 75.0 110.351 173.139 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.39 -39.62 91.35 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.244 177.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -74.79 -38.72 62.06 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.284 0.476 . . . . 25.0 112.284 -178.019 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.0 -19.99 20.37 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 116.729 2.122 . . . . 50.0 116.729 -172.111 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -80.1 0.24 32.93 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 119.215 0.916 . . . . 25.0 109.848 177.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -127.72 157.81 39.32 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 103.996 -2.594 . . . . 25.0 103.996 176.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t 49.51 -154.34 0.11 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 122.813 0.445 . . . . 50.0 110.682 -171.315 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.28 134.13 45.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.271 0 O-C-N 121.972 -0.455 . . . . 25.0 110.97 178.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.43 121.6 40.57 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.568 1.167 . . . . 25.0 109.704 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -118.06 135.75 53.99 Favored 'General case' 0 C--O 1.265 1.919 0 CA-C-N 115.219 -0.9 . . . . 50.0 112.277 -173.116 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.02 -37.6 69.4 Favored 'General case' 1 C--O 1.324 4.996 0 O-C-N 125.193 1.558 . . . . 75.0 108.545 179.57 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -54.85 -39.41 68.59 Favored 'General case' 0 C--N 1.367 1.348 1 O-C-N 116.09 -4.131 . . . . 50.0 112.406 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.82 -33.12 46.36 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 119.029 -2.294 . . . . 50.0 112.484 -178.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.79 -28.41 69.97 Favored 'General case' 0 C--O 1.259 1.595 0 O-C-N 121.895 -0.503 . . . . 50.0 110.54 173.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -56.1 -30.33 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 119.448 -0.901 . . . . 75.0 111.033 175.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -65.25 -18.91 65.69 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.696 0.628 . . . . 50.0 112.696 -176.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -96.59 1.43 51.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.691 -0.63 . . . . 50.0 112.253 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.7 t -77.29 -6.71 54.2 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.161 0.981 . . . . 50.0 108.813 172.183 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.187 -2.224 0 CA-C-O 126.15 2.881 . . . . 50.0 113.321 178.392 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 123.311 1.529 . . . . 25.0 113.803 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -59.93 146.96 9.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 113.085 -1.871 . . . . 25.0 111.946 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -81.64 -143.83 0.05 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.73 -1.123 . . . . 50.0 108.881 177.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -163.86 0.22 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-O 121.725 0.774 . . . . 50.0 110.05 171.882 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -92.19 95.29 9.65 Favored 'General case' 0 C--O 1.25 1.132 0 CA-C-N 114.464 -1.244 . . . . 75.0 111.921 -170.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.83 131.05 39.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.269 0.557 . . . . 25.0 111.525 179.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 97.4 m -136.26 169.48 17.57 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.746 -1.115 . . . . 50.0 112.131 -177.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.382 0 C-N-CA 127.016 2.126 . . . . 75.0 111.154 177.404 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 p -59.24 -34.61 72.42 Favored 'General case' 0 C--O 1.195 -1.798 0 O-C-N 120.601 -1.312 . . . . 50.0 112.006 -173.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -67.58 -34.57 77.3 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 120.565 -1.334 . . . . 50.0 111.237 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.41 -44.55 74.81 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 107.23 -1.396 . . . . 50.0 107.23 175.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-O 122.047 0.927 . . . . 25.0 110.257 -176.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -68.38 -34.98 77.03 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.898 -0.592 . . . . 50.0 112.22 -178.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.53 83.02 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 123.371 1.558 . . . . 25.0 111.314 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.64 -38.7 77.26 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-N 113.831 -1.531 . . . . 50.0 110.008 -178.749 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.05 -44.29 94.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 124.698 1.249 . . . . 25.0 110.358 174.059 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.06 -33.4 75.71 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.934 1.827 . . . . 50.0 115.934 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.58 -28.98 8.7 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 C-N-CA 119.549 -0.86 . . . . 50.0 112.479 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -91.38 -28.75 17.49 Favored 'General case' 0 C--O 1.278 2.572 0 CA-C-N 118.357 0.526 . . . . 50.0 110.877 -176.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 -179.37 28.05 Favored Glycine 0 N--CA 1.474 1.198 0 N-CA-C 109.326 -1.509 . . . . 25.0 109.326 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.87 -8.59 49.81 Favored 'General case' 0 C--O 1.194 -1.852 0 N-CA-C 112.78 0.659 . . . . 50.0 112.78 178.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.08 -28.25 69.48 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 118.774 -0.631 . . . . 50.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.35 158.19 32.57 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.582 -0.607 . . . . 50.0 111.582 178.035 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -123.41 173.77 7.78 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.938 -175.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.28 -162.34 0.49 Allowed 'General case' 0 C--O 1.203 -1.381 0 C-N-CA 123.525 0.73 . . . . 50.0 111.021 -171.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.9 t80 71.56 112.77 0.06 Allowed 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 124.905 1.282 . . . . 50.0 112.128 177.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.8 47.44 24.55 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.206 1.558 . . . . 25.0 115.206 179.085 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -79.29 123.5 84.59 Favored Pre-proline 0 CA--C 1.562 1.417 0 O-C-N 120.918 -1.114 . . . . 50.0 109.559 176.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -75.1 107.91 2.59 Favored 'Trans proline' 0 C--O 1.243 0.773 0 C-N-CA 115.138 -2.774 . . . . 50.0 111.621 -177.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.203 -1.373 0 CA-C-O 123.447 1.594 . . . . 25.0 109.796 178.572 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.455 0 CA-C-O 124.219 2.011 . . . . 25.0 114.725 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.33 -42.45 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 O-C-N 119.962 -1.905 . . . . 25.0 111.721 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.09 -44.15 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 120.912 0.387 . . . . 75.0 110.268 178.376 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -67.52 -34.26 76.75 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.399 -0.364 . . . . 25.0 110.971 -173.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -90.93 -37.89 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -174.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.7 m -119.3 -3.25 10.54 Favored 'General case' 0 C--O 1.19 -2.031 0 N-CA-C 116.36 1.985 . . . . 50.0 116.36 -169.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -93.51 -38.32 11.46 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 119.448 1.022 . . . . 25.0 110.341 172.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -75.08 -13.18 60.46 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.33 0.586 . . . . 25.0 109.943 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -133.88 -162.81 1.28 Allowed 'General case' 0 C--O 1.261 1.659 0 N-CA-C 104.886 -2.264 . . . . 50.0 104.886 179.537 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -127.42 109.84 21.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.305 170.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -82.68 157.09 23.48 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.841 0.829 . . . . 25.0 112.7 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.1 m -83.68 158.14 21.94 Favored 'General case' 0 C--O 1.272 2.273 0 CA-C-N 114.047 -1.433 . . . . 50.0 109.586 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 -30.88 71.91 Favored 'General case' 1 C--O 1.319 4.732 0 O-C-N 120.372 -1.455 . . . . 75.0 111.201 -176.308 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -52.51 -54.97 25.54 Favored 'General case' 0 C--O 1.19 -2.037 0 O-C-N 119.443 -2.036 . . . . 50.0 111.092 169.285 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.3 -42.11 90.55 Favored 'General case' 0 C--O 1.183 -2.426 0 O-C-N 119.268 -2.145 . . . . 50.0 112.666 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.05 -28.63 64.69 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.033 -0.984 . . . . 50.0 112.914 175.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.16 -28.62 62.93 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.355 -1.338 . . . . 75.0 112.331 173.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.619 -0.676 . . . . 50.0 110.982 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.83 -11.02 54.44 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.281 0.562 . . . . 50.0 110.496 -178.01 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 t -99.0 -19.49 17.25 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 122.571 1.177 . . . . 50.0 107.836 174.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.17 -3.093 0 O-C-N 121.277 -0.89 . . . . 50.0 110.682 -170.502 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 122.523 1.154 . . . . 25.0 111.229 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.2 t -80.85 87.67 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -179.505 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -84.35 67.48 9.86 Favored 'General case' 0 C--O 1.199 -1.568 0 N-CA-C 109.261 -0.644 . . . . 50.0 109.261 -178.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -124.9 179.08 5.17 Favored 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 105.874 -1.898 . . . . 50.0 105.874 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -41.63 117.44 0.92 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.58 0.955 . . . . 75.0 113.58 174.237 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.16 84.73 6.13 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 113.974 -1.466 . . . . 25.0 113.117 -174.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.72 170.07 13.74 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 105.945 -1.872 . . . . 50.0 105.945 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.607 3.166 0 C-N-CA 127.028 2.131 . . . . 75.0 112.931 177.366 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -56.88 -32.76 66.19 Favored 'General case' 0 C--O 1.189 -2.126 0 N-CA-C 114.695 1.368 . . . . 50.0 114.695 -177.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.28 -35.04 68.61 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 120.519 -1.363 . . . . 50.0 109.411 -175.854 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -43.9 89.98 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 119.472 -0.891 . . . . 50.0 110.043 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.27 -42.94 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.65 -0.657 . . . . 25.0 109.634 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -61.26 -49.21 78.0 Favored 'General case' 0 C--O 1.192 -1.942 0 O-C-N 121.628 -0.67 . . . . 50.0 111.271 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.46 88.1 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.608 -0.683 . . . . 25.0 110.832 178.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.377 -0.827 . . . . 50.0 111.731 178.154 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -65.7 -42.92 90.61 Favored 'General case' 0 C--O 1.199 -1.599 0 C-N-CA 124.466 1.106 . . . . 25.0 112.024 179.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.79 -40.59 83.91 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 114.127 1.158 . . . . 50.0 114.127 176.134 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.59 -31.5 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.192 0 C-N-CA 119.657 -0.817 . . . . 50.0 112.54 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -13.41 18.67 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.899 -0.72 . . . . 50.0 112.26 -173.161 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -169.71 25.46 Favored Glycine 0 CA--C 1.537 1.422 0 N-CA-C 111.561 -0.616 . . . . 25.0 111.561 175.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.22 -25.5 64.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 O-C-N 121.45 -1.03 . . . . 50.0 111.176 -176.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -64.65 -32.88 74.74 Favored 'General case' 0 CA--C 1.481 -1.683 0 O-C-N 125.638 1.836 . . . . 50.0 108.029 -173.29 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.33 -176.41 38.13 Favored Glycine 0 C--O 1.211 -1.319 0 O-C-N 124.753 1.283 . . . . 50.0 111.04 172.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -87.36 -27.28 22.9 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 174.469 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 50.8 146.54 0.0 OUTLIER 'General case' 0 C--N 1.364 1.217 1 N-CA-C 122.708 4.336 . . . . 50.0 122.708 -178.569 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -139.23 143.63 38.11 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.347 -1.297 . . . . 50.0 108.561 172.254 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.1 p -130.25 69.21 1.44 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 122.432 1.11 . . . . 25.0 108.564 178.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -99.68 102.54 17.28 Favored Pre-proline 0 C--O 1.208 -1.086 0 CA-C-N 113.994 -1.457 . . . . 50.0 110.524 -175.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -75.52 83.61 1.87 Allowed 'Trans proline' 0 C--O 1.194 -1.685 0 C-N-CA 122.037 1.825 . . . . 50.0 112.633 -179.155 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.313 -0.989 0 O-C-N 119.379 -2.076 . . . . 25.0 110.292 -178.365 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.202 -1.88 0 CA-C-O 124.606 2.225 . . . . 25.0 113.277 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.28 -38.25 60.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 O-C-N 121.225 -1.162 . . . . 25.0 108.279 -179.164 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.32 -44.5 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 CA-C-O 118.141 -0.933 . . . . 75.0 109.956 -178.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.81 -48.45 81.75 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 119.955 -0.698 . . . . 25.0 110.493 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -71.28 -38.99 71.79 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 116.633 2.086 . . . . 25.0 116.633 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.6 t -105.43 -21.57 13.2 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 118.84 2.904 . . . . 50.0 118.84 -170.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -82.55 -15.05 53.74 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 119.038 -2.288 . . . . 25.0 109.001 -175.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -102.02 151.36 22.23 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 176.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m 55.6 -168.04 0.09 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 107.474 -1.306 . . . . 50.0 107.474 -171.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -76.78 -40.96 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.979 0 O-C-N 121.141 -0.974 . . . . 25.0 112.953 -172.514 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.6 t 66.2 80.84 0.21 Allowed 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 122.959 1.362 . . . . 25.0 111.547 -172.049 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -64.31 159.88 20.04 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.267 -0.896 . . . . 50.0 109.63 -169.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -53.87 -36.19 62.37 Favored 'General case' 1 C--O 1.348 6.243 0 CA-C-O 122.358 1.075 . . . . 75.0 110.995 178.706 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -54.5 -50.63 67.36 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 118.053 -2.904 . . . . 50.0 113.093 171.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.11 -40.3 94.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.328 -0.858 . . . . 50.0 110.373 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.05 -41.81 93.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.548 0.739 . . . . 50.0 111.945 -178.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -26.8 62.81 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-N 115.495 -0.775 . . . . 75.0 112.192 177.243 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.25 -17.78 62.47 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.943 1.247 . . . . 50.0 112.117 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -77.41 -4.34 44.82 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 121.306 -0.871 . . . . 50.0 111.638 174.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -95.37 -160.35 0.78 Allowed 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 122.095 0.95 . . . . 50.0 111.773 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 120.051 -1.655 . . . . 50.0 114.217 -174.983 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 CA--C 1.581 2.171 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.6 t -99.46 124.07 52.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 104.846 -2.279 . . . . 25.0 104.846 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -110.27 36.29 3.11 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.824 0.821 . . . . 50.0 112.229 -171.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -99.08 -157.95 0.64 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 113.752 -1.567 . . . . 50.0 109.268 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -69.34 91.14 0.53 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.259 -0.877 . . . . 75.0 111.819 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.82 124.39 21.87 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 178.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -158.83 171.02 20.83 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.967 -1.123 . . . . 50.0 107.967 176.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.977 0 C-N-CA 126.455 1.902 . . . . 75.0 112.959 -173.197 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 t -60.45 -29.43 69.03 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 123.687 0.795 . . . . 50.0 111.064 -178.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -69.8 -33.41 72.33 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.595 -1.316 . . . . 50.0 109.003 -174.659 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.58 -47.25 73.35 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 108.726 -0.842 . . . . 50.0 108.726 174.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.25 -48.77 76.15 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.179 0 C-N-CA 123.084 0.554 . . . . 25.0 110.577 178.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.04 -47.97 80.72 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.166 -0.959 . . . . 50.0 111.263 179.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.99 87.1 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 122.077 -0.389 . . . . 25.0 110.502 -178.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -37.4 85.96 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 123.786 0.679 . . . . 50.0 110.129 -178.661 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.37 -43.11 86.84 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.763 1.289 . . . . 25.0 110.865 176.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.37 -39.14 85.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.687 0.995 . . . . 50.0 113.687 179.162 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -79.68 -34.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.99 -1.084 . . . . 50.0 109.631 -175.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.35 -32.33 24.3 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.91 -1.744 . . . . 50.0 110.783 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.66 -174.88 15.54 Favored Glycine 0 C--O 1.211 -1.313 0 CA-C-O 122.501 1.056 . . . . 25.0 112.425 177.028 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -66.43 -27.8 68.12 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 121.902 0.858 . . . . 50.0 111.527 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.49 48.66 1.68 Allowed 'General case' 0 C--O 1.189 -2.106 0 CA-C-N 114.521 -1.218 . . . . 50.0 109.307 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.63 -176.96 1.67 Allowed Glycine 0 CA--C 1.551 2.317 0 N-CA-C 119.826 2.69 . . . . 50.0 119.826 -171.173 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -58.19 160.84 4.66 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 112.362 -1.919 . . . . 25.0 114.284 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.6 -166.07 1.06 Allowed 'General case' 0 C--O 1.213 -0.833 0 O-C-N 124.414 1.071 . . . . 50.0 112.081 -177.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 t80 49.41 73.1 0.26 Allowed 'General case' 0 C--O 1.265 1.88 0 N-CA-C 117.39 2.367 . . . . 50.0 117.39 -179.578 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.36 115.54 23.13 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 104.594 -2.373 . . . . 25.0 104.594 168.037 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.5 130.45 91.97 Favored Pre-proline 0 C--N 1.332 -0.177 0 O-C-N 121.683 -0.636 . . . . 50.0 111.032 -177.765 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.42 101.64 1.28 Allowed 'Trans proline' 0 C--O 1.209 -0.974 0 C-N-CA 117.209 -1.394 . . . . 50.0 112.693 173.419 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 CA--C 1.54 0.559 0 O-C-N 118.385 -2.697 . . . . 25.0 111.891 -177.908 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.423 0 N-CA-C 116.939 1.536 . . . . 25.0 116.939 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.0 mt -69.2 -39.57 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.174 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 174.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.86 -40.27 84.66 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-N 115.757 -0.656 . . . . 75.0 111.522 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.88 -26.44 61.44 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -177.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -83.96 -44.93 13.7 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 -23.1 11.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 118.071 2.619 . . . . 50.0 118.071 -170.405 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -81.18 -3.24 51.57 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 118.307 -1.357 . . . . 25.0 112.825 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -112.65 147.78 36.02 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 103.572 -2.751 . . . . 25.0 103.572 171.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t 56.3 -172.23 0.07 Allowed 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 122.127 0.965 . . . . 50.0 108.946 -168.196 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.7 mm -92.1 125.8 44.72 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 O-C-N 120.867 -1.146 . . . . 25.0 111.969 -172.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.31 153.94 18.27 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 121.821 -0.549 . . . . 25.0 109.76 -178.634 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -150.65 158.47 44.19 Favored 'General case' 0 C--O 1.198 -1.62 0 O-C-N 124.111 0.882 . . . . 50.0 111.298 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.46 -31.87 62.32 Favored 'General case' 1 C--O 1.306 4.043 0 CA-C-O 122.874 1.321 . . . . 75.0 109.085 176.537 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -51.79 -52.27 50.23 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 117.792 -3.067 . . . . 50.0 113.66 171.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.05 -39.31 83.05 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.876 -1.14 . . . . 50.0 112.202 174.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.37 -27.54 62.39 Favored 'General case' 0 C--O 1.263 1.796 0 N-CA-C 115.506 1.669 . . . . 50.0 115.506 179.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -60.84 -23.74 65.36 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 114.988 1.477 . . . . 75.0 114.988 172.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.11 -15.63 63.84 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-N 115.592 -0.731 . . . . 50.0 111.516 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -105.95 5.55 30.58 Favored 'General case' 0 C--O 1.193 -1.903 0 CA-C-O 122.422 1.106 . . . . 50.0 111.736 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.3 t -103.55 -35.29 8.36 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 122.218 1.009 . . . . 50.0 109.772 175.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.197 -1.695 0 CA-C-O 127.747 3.641 . . . . 50.0 116.354 -175.143 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.513 2.704 0 N-CA-C 115.74 1.756 . . . . 25.0 115.74 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -125.21 131.55 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 CA-C-N 114.139 -1.391 . . . . 25.0 108.145 -173.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -94.57 -104.25 0.14 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.814 -1.18 . . . . 50.0 107.814 174.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 54.85 -139.02 1.04 Allowed 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.108 0.781 . . . . 50.0 113.108 176.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -107.83 73.83 0.92 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.468 1.031 . . . . 75.0 109.351 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.14 129.96 43.24 Favored 'General case' 0 C--O 1.269 2.097 0 N-CA-C 105.419 -2.067 . . . . 25.0 105.419 -179.146 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.34 170.61 21.87 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 106.411 -1.7 . . . . 50.0 106.411 -174.845 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.521 0 C-N-CA 126.509 1.923 . . . . 75.0 113.449 173.726 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t -57.26 -32.57 66.72 Favored 'General case' 0 C--N 1.375 1.684 0 CA-C-O 123.248 1.499 . . . . 50.0 110.852 -170.263 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -68.67 -39.49 80.58 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 122.29 1.043 . . . . 50.0 111.495 179.072 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.54 -40.81 69.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 119.276 -0.97 . . . . 50.0 110.824 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.37 -44.17 91.9 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-O 119.432 -0.318 . . . . 25.0 111.728 173.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.31 -41.75 97.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 122.393 1.092 . . . . 50.0 112.096 178.091 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.73 81.82 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 114.484 -1.234 . . . . 25.0 112.661 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -40.2 74.63 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.018 -0.734 . . . . 50.0 109.018 -179.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.458 ' CZ ' ' HA ' ' B' ' 21' ' ' GLU . 79.9 t80 -61.24 -39.44 90.32 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.17 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.94 -42.03 85.97 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 115.81 1.781 . . . . 50.0 115.81 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 m -77.27 -26.74 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.037 -1.039 . . . . 50.0 113.039 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.49 -39.57 14.09 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.549 1.166 . . . . 50.0 110.54 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.07 179.74 15.88 Favored Glycine 0 C--O 1.211 -1.319 0 N-CA-C 110.581 -1.008 . . . . 25.0 110.581 175.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.458 ' HA ' ' CZ ' ' B' ' 16' ' ' TYR . 96.5 mt-10 -69.98 -1.5 9.89 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 121.75 -0.853 . . . . 50.0 111.723 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.63 -10.78 59.72 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 116.066 -0.516 . . . . 50.0 110.185 -176.429 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -171.05 31.65 Favored Glycine 0 C--O 1.253 1.303 0 CA-C-O 117.496 -1.724 . . . . 50.0 109.521 178.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -153.37 -172.53 4.27 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.633 1.716 . . . . 25.0 107.33 -177.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -169.46 0.22 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 112.519 0.562 . . . . 50.0 112.519 -176.349 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.1 t80 74.43 104.79 0.07 Allowed 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 115.06 1.504 . . . . 50.0 115.06 173.278 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m 53.55 77.73 0.17 Allowed 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 122.836 1.303 . . . . 25.0 114.136 179.109 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -59.41 131.0 87.84 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 115.009 -0.996 . . . . 50.0 110.214 175.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -76.94 59.36 6.43 Favored 'Trans proline' 0 C--O 1.201 -1.329 0 CA-C-O 123.541 1.392 . . . . 50.0 114.508 175.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.205 -1.254 0 O-C-N 118.864 -2.397 . . . . 25.0 110.802 -178.786 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 116.359 1.304 . . . . 25.0 116.359 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.1 mm -53.88 -43.05 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 -176.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.8 -46.57 79.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.946 -1.096 . . . . 75.0 111.316 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.75 -42.67 90.66 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 122.174 -0.329 . . . . 25.0 111.3 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -75.6 -38.77 58.78 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.92 -51.24 3.2 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.614 1.197 . . . . 50.0 113.958 -175.097 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.02 -18.48 53.49 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 118.467 2.765 . . . . 25.0 118.467 -171.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -63.72 -17.58 63.14 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.925 -1.109 . . . . 25.0 112.224 -179.019 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 t -145.91 -169.32 3.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 104.802 -2.296 . . . . 50.0 104.802 178.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.33 115.52 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 106.328 -1.73 . . . . 25.0 106.328 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -92.88 148.2 22.21 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-N 113.097 -1.865 . . . . 25.0 108.773 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -122.14 156.2 34.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 124.26 1.981 . . . . 50.0 112.377 -171.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.78 -31.05 71.94 Favored 'General case' 1 C--O 1.332 5.42 0 CA-C-N 114.307 -1.315 . . . . 75.0 108.091 -178.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.22 -50.08 74.0 Favored 'General case' 0 CA--C 1.481 -1.676 0 O-C-N 120.043 -1.661 . . . . 50.0 112.535 173.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -66.48 -35.75 81.03 Favored 'General case' 0 C--O 1.194 -1.853 0 CA-C-N 113.271 -1.786 . . . . 50.0 111.074 -179.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -58.23 -34.14 70.12 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.766 0.666 . . . . 50.0 111.803 177.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.61 -33.68 55.81 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.39 0.885 . . . . 75.0 113.39 175.064 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -69.81 -7.23 38.11 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 121.944 -0.473 . . . . 50.0 111.911 -177.014 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -104.75 10.56 34.59 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 121.467 0.651 . . . . 50.0 110.016 -178.032 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -129.37 170.88 13.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 105.47 -2.048 . . . . 50.0 105.47 178.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 . . . . . 0 C--O 1.205 -1.249 0 N-CA-C 108.603 -0.888 . . . . 50.0 108.603 173.827 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 116.002 1.852 . . . . 25.0 116.002 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.02 136.54 55.29 Favored 'Isoleucine or valine' 0 C--O 1.264 1.836 0 CA-C-N 113.383 -1.735 . . . . 25.0 107.415 175.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -93.6 104.47 16.58 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.047 -1.094 . . . . 50.0 108.047 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.78 -158.22 0.84 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 108.861 -0.792 . . . . 50.0 108.861 -178.475 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -83.31 76.08 9.92 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 107.124 -1.435 . . . . 75.0 107.124 179.11 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.19 106.81 1.76 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.471 -0.786 . . . . 25.0 109.184 -177.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.95 177.71 7.69 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 122.97 1.367 . . . . 50.0 110.242 176.657 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.265 0 C-N-CA 127.05 2.14 . . . . 75.0 112.17 -177.388 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -59.96 -33.78 72.39 Favored 'General case' 0 C--N 1.376 1.74 0 O-C-N 118.029 -2.919 . . . . 50.0 111.061 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -62.08 -30.88 71.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.763 -1.113 . . . . 50.0 113.853 176.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.94 -42.19 85.72 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 123.794 0.684 . . . . 50.0 110.213 177.119 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -64.94 -42.3 94.43 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 C-N-CA 123.146 0.578 . . . . 25.0 109.583 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -69.58 -39.23 77.46 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 124.444 1.09 . . . . 50.0 110.526 -179.253 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.03 -35.25 79.48 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 118.341 -1.344 . . . . 25.0 109.682 176.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -42.17 98.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 122.115 -0.366 . . . . 50.0 111.15 174.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.18 -41.04 92.05 Favored 'General case' 0 N--CA 1.416 -2.17 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 175.366 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.28 -38.98 91.93 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 115.064 -0.971 . . . . 50.0 113.207 177.199 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.45 -45.58 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 118.684 0.675 . . . . 50.0 111.351 176.633 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -16.51 45.5 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 113.622 0.971 . . . . 50.0 113.622 -171.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.86 -173.48 43.37 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 110.369 -1.092 . . . . 25.0 110.369 176.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.86 -4.52 13.01 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 113.98 1.104 . . . . 50.0 113.98 -179.196 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -65.2 -27.39 68.65 Favored 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 109.61 -0.515 . . . . 50.0 109.61 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.86 -176.84 10.77 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 120.47 -0.871 . . . . 50.0 113.754 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -150.03 158.53 44.25 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.26 168.07 11.14 Favored 'General case' 0 C--O 1.261 1.671 0 C-N-CA 122.938 0.495 . . . . 50.0 109.687 -177.636 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.02 61.0 1.45 Allowed 'General case' 0 C--O 1.27 2.175 0 O-C-N 125.653 1.845 . . . . 50.0 107.245 179.198 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.9 m 67.55 139.31 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 113.983 -1.462 . . . . 25.0 112.56 -179.027 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -79.96 130.06 68.11 Favored Pre-proline 0 C--O 1.24 0.596 0 O-C-N 118.759 -2.463 . . . . 50.0 107.611 -179.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.45 118.28 5.1 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 114.62 -3.12 . . . . 50.0 110.185 174.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 124.643 2.163 . . . . 25.0 112.985 -176.383 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -1.238 0 CA-C-O 123.866 1.814 . . . . 25.0 112.108 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.13 -37.74 80.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.72 -33.78 63.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 121.501 -0.75 . . . . 75.0 109.805 177.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -65.5 -43.45 90.12 Favored 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 118.244 -1.383 . . . . 25.0 109.405 175.109 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.46 -42.45 96.2 Favored 'General case' 0 C--O 1.182 -2.453 0 CA-C-O 117.653 -1.165 . . . . 25.0 109.037 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.59 -27.43 63.13 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.731 1.151 . . . . 50.0 110.888 -177.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.03 -44.89 79.09 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 121.539 -0.726 . . . . 25.0 110.91 176.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -91.02 -24.57 20.03 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-O 118.409 -0.805 . . . . 25.0 112.773 -175.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -133.34 164.3 27.42 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.231 0.957 . . . . 50.0 112.929 -177.39 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 HG23 HD21 ' B' ' 3' ' ' ASN . 27.0 mm -64.51 136.55 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 120.348 -0.541 . . . . 25.0 111.939 -178.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -136.14 157.46 46.78 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 122.158 0.98 . . . . 25.0 111.061 173.529 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.7 p -94.42 169.62 10.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 116.906 2.187 . . . . 50.0 116.906 -168.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.35 -34.17 72.04 Favored 'General case' 1 C--O 1.35 6.357 0 O-C-N 119.254 -2.154 . . . . 75.0 111.403 168.389 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.89 -40.17 94.68 Favored 'General case' 0 C--O 1.198 -1.611 0 O-C-N 119.234 -2.167 . . . . 50.0 111.108 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -71.34 -42.02 69.06 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 114.704 -1.134 . . . . 50.0 109.592 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.76 -38.98 67.87 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 116.107 -0.497 . . . . 50.0 110.83 177.333 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.77 -26.73 65.95 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 113.127 0.788 . . . . 75.0 113.127 -176.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.98 -15.57 60.13 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 118.807 -0.616 . . . . 50.0 110.701 -173.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -70.25 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.222 0.919 . . . . 50.0 109.679 171.294 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.8 m -89.18 142.7 27.42 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 106.416 -1.698 . . . . 50.0 106.416 177.03 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 C--O 1.197 -1.693 0 CA-C-O 125.812 2.72 . . . . 50.0 112.575 -178.542 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 C--O 1.194 -1.837 0 CA-C-O 124.901 2.286 . . . . 25.0 114.944 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.23 136.6 26.2 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 CA-C-N 113.133 -1.849 . . . . 25.0 108.52 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.423 HD21 HG23 ' A' ' 10' ' ' ILE . 14.7 m120 -76.65 68.63 2.94 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 122.441 1.115 . . . . 50.0 113.552 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -126.76 7.64 6.81 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.75 -1.114 . . . . 50.0 110.431 -176.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 p80 35.69 64.35 0.49 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 113.503 0.927 . . . . 75.0 113.503 177.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.95 138.49 50.07 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 103.226 -2.879 . . . . 25.0 103.226 177.116 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' B' ' 11' ' ' LEU . 13.9 t -116.7 -155.82 0.6 Allowed 'General case' 0 C--O 1.254 1.307 0 N-CA-C 106.73 -1.582 . . . . 50.0 106.73 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.587 2.397 0 CA-C-N 114.178 -1.374 . . . . 75.0 112.724 -179.103 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -55.36 -31.06 61.46 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 124.585 1.154 . . . . 50.0 110.532 178.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -71.15 -31.5 67.78 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.486 -2.009 . . . . 50.0 111.969 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 7' ' ' CYS . 3.3 tm? -70.75 -35.64 72.75 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.652 -1.61 . . . . 50.0 106.652 178.194 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.73 -40.41 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.67 -37.71 85.31 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 121.314 0.578 . . . . 50.0 112.414 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.99 96.6 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 178.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 tp -61.13 -39.7 91.0 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.669 -0.696 . . . . 50.0 109.743 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.55 -42.21 98.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.456 0.646 . . . . 25.0 110.768 178.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.2 -43.32 99.06 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 122.69 1.233 . . . . 50.0 114.102 179.139 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 m -79.14 -26.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 O-C-N 120.907 -1.121 . . . . 50.0 113.073 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 -25.64 30.31 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 114.18 1.178 . . . . 50.0 114.18 176.697 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.71 169.56 34.01 Favored Glycine 0 CA--C 1.499 -0.937 0 N-CA-C 107.54 -2.224 . . . . 25.0 107.54 -177.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -63.38 -2.77 1.63 Allowed 'General case' 0 CA--C 1.572 1.826 0 CA-C-N 113.878 -1.161 . . . . 50.0 113.373 -177.411 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -23.53 61.04 Favored 'General case' 0 C--O 1.196 -1.737 0 O-C-N 123.945 0.778 . . . . 50.0 110.84 177.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.37 -170.88 41.35 Favored Glycine 0 C--O 1.181 -3.188 0 N-CA-C 109.594 -1.403 . . . . 50.0 109.594 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -143.83 -35.01 0.38 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.519 2.044 . . . . 25.0 116.519 -168.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -109.25 148.9 30.23 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.721 0.772 . . . . 50.0 111.805 -175.015 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -71.74 -36.62 70.51 Favored 'General case' 0 C--O 1.264 1.848 0 CA-C-N 114.79 -1.096 . . . . 50.0 109.996 177.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.5 m -110.12 113.15 25.62 Favored 'General case' 0 C--O 1.257 1.469 0 N-CA-C 103.802 -2.666 . . . . 25.0 103.802 174.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -131.79 151.15 78.08 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 119.597 -0.841 . . . . 50.0 109.563 -176.79 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.46 66.86 6.39 Favored 'Trans proline' 0 C--N 1.354 0.839 0 CA-C-O 122.693 1.039 . . . . 50.0 113.318 -179.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.212 -0.91 0 O-C-N 117.78 -3.075 . . . . 25.0 111.325 179.548 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.809 0 CA-C-O 124.165 1.981 . . . . 25.0 108.985 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 19' ' ' TYR . 40.2 mt -51.99 -55.3 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 111.808 -2.196 . . . . 25.0 112.913 -175.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 m -73.53 -25.92 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 O-C-N 120.157 -1.589 . . . . 75.0 111.6 -176.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -69.41 -40.33 77.36 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.529 -0.732 . . . . 25.0 109.428 -177.144 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -74.34 -50.58 18.12 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 114.332 -1.304 . . . . 25.0 111.934 178.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.1 m -81.49 -16.7 51.06 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 115.288 1.588 . . . . 50.0 115.288 -172.264 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.98 -12.56 60.04 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 120.697 -1.252 . . . . 25.0 111.98 179.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 t -118.18 -7.88 10.72 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.714 1.245 . . . . 25.0 111.48 -178.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -128.95 176.53 7.8 Favored 'General case' 0 CA--C 1.484 -1.567 0 N-CA-C 104.785 -2.302 . . . . 50.0 104.785 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.29 109.92 30.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.7 m -93.72 107.64 19.49 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.142 -1.058 . . . . 25.0 108.142 -179.128 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -60.78 154.42 21.87 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.196 -0.911 . . . . 50.0 110.882 169.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' H ' ' N ' ' B' ' 1' ' ' PHE . 8.5 mp -58.05 -31.25 66.86 Favored 'General case' 0 C--O 1.301 3.765 0 O-C-N 121.435 -0.79 . . . . 75.0 109.571 -177.729 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -55.73 -37.97 69.14 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 117.75 -3.094 . . . . 50.0 113.383 174.355 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -80.74 -38.85 27.96 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 113.673 -1.603 . . . . 50.0 109.333 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.78 -26.4 65.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 124.268 0.98 . . . . 50.0 110.303 177.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.92 -25.72 57.91 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.387 -0.821 . . . . 75.0 111.138 174.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -64.2 -22.8 67.08 Favored 'General case' 0 C--O 1.191 -2.025 0 CA-C-N 118.933 0.788 . . . . 50.0 112.58 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CD1' HG12 ' A' ' 2' ' ' ILE . 46.0 m-85 -89.44 -8.38 53.11 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 121.348 -0.845 . . . . 50.0 111.236 -179.356 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.5 m -98.83 -13.64 20.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.661 -1.154 . . . . 50.0 110.265 174.212 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.209 -1.05 0 CA-C-O 124.471 2.081 . . . . 50.0 112.233 -175.076 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.509 ' N ' ' H ' ' A' ' 13' ' ' LEU . 5.3 m-85 . . . . . 0 C--O 1.184 -2.361 0 CA-C-O 123.098 1.428 . . . . 25.0 113.573 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.43 131.5 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.122 0 N-CA-C 107.72 -1.215 . . . . 25.0 107.72 -177.259 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -148.4 -152.71 0.45 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 107.129 -1.434 . . . . 50.0 107.129 179.14 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -91.95 -179.35 5.27 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 118.693 0.679 . . . . 50.0 110.318 169.347 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -63.57 -50.55 69.04 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.267 1.21 . . . . 75.0 114.267 -176.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.7 mt 63.27 -174.81 0.15 Allowed 'General case' 0 C--O 1.198 -1.618 0 O-C-N 124.989 1.431 . . . . 25.0 108.852 -171.297 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -172.55 -55.26 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.95 0 O-C-N 121.07 -1.018 . . . . 50.0 109.905 -174.147 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.587 2.386 0 CA-C-O 124.014 1.864 . . . . 75.0 110.887 -178.684 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -47.14 -32.43 4.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 129.722 3.209 . . . . 50.0 114.088 -173.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -57.26 -31.21 65.34 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.69 0.626 . . . . 50.0 112.69 175.011 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -75.75 -44.07 43.54 Favored 'General case' 0 C--O 1.247 0.957 0 N-CA-C 104.701 -2.333 . . . . 50.0 104.701 -175.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.5 -37.26 77.4 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 176.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.7 -39.58 84.39 Favored 'General case' 0 C--O 1.184 -2.383 0 O-C-N 120.456 -1.403 . . . . 50.0 110.248 177.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.79 92.51 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 177.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 tp -66.45 -39.47 88.89 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.334 -0.841 . . . . 50.0 110.372 -178.588 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.045 0.938 . . . . 25.0 111.894 173.008 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.63 -40.6 95.45 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 113.432 0.901 . . . . 50.0 113.432 179.157 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -81.51 -29.24 10.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.973 0 C-N-CA 118.61 -1.236 . . . . 50.0 112.029 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.7 -33.2 31.29 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 119.077 0.853 . . . . 50.0 112.994 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.62 -171.28 52.68 Favored Glycine 0 C--O 1.204 -1.763 0 N-CA-C 111.16 -0.776 . . . . 25.0 111.16 -169.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.93 -1.59 2.11 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.27 1.582 . . . . 50.0 115.27 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -12.24 60.21 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.574 1.694 . . . . 50.0 115.574 -175.636 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 172.08 45.1 Favored Glycine 0 C--N 1.293 -1.837 0 N-CA-C 108.679 -1.768 . . . . 50.0 108.679 172.462 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -161.31 169.85 21.3 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 118.946 -0.549 . . . . 25.0 110.444 -172.186 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.82 171.09 4.62 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 122.318 1.056 . . . . 50.0 113.245 -174.143 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 57.29 70.39 0.66 Allowed 'General case' 0 C--O 1.243 0.733 0 N-CA-C 113.948 1.092 . . . . 50.0 113.948 -177.307 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.1 t -117.02 36.14 4.34 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 105.721 -1.955 . . . . 25.0 105.721 175.131 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -88.15 116.05 65.03 Favored Pre-proline 0 C--N 1.294 -1.83 0 O-C-N 121.69 -0.631 . . . . 50.0 111.36 177.075 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.06 123.26 8.23 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 117.236 -1.376 . . . . 50.0 112.562 176.039 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.206 -1.222 0 N-CA-C 115.449 1.648 . . . . 25.0 115.449 -176.166 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.904 0 CA-C-O 123.563 1.646 . . . . 25.0 115.882 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.88 -32.93 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 119.387 -2.243 . . . . 25.0 108.492 178.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.1 -31.93 52.15 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.216 0 O-C-N 121.262 -0.899 . . . . 75.0 111.049 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.33 -36.55 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.643 -0.66 . . . . 25.0 110.245 176.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -61.12 -39.48 90.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.451 170.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -34.91 76.98 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.93 -1.106 . . . . 50.0 110.495 179.647 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -70.16 -41.67 73.52 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.39 -0.818 . . . . 25.0 111.862 179.614 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.61 -14.07 61.53 Favored 'General case' 0 C--N 1.308 -1.199 0 O-C-N 123.686 0.616 . . . . 25.0 111.852 179.451 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -118.83 -141.58 0.36 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 102.416 -3.179 . . . . 50.0 102.416 179.692 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -125.37 124.81 67.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 103.515 -2.772 . . . . 25.0 103.515 175.164 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' HB2' HD22 ' B' ' 3' ' ' ASN . 22.5 m -72.35 166.88 21.62 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.025 0.917 . . . . 25.0 111.85 -173.71 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -133.34 155.6 49.15 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.855 -1.153 . . . . 50.0 108.169 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.48 -36.83 85.04 Favored 'General case' 1 C--O 1.325 5.054 0 O-C-N 119.006 -2.309 . . . . 75.0 111.126 -177.403 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.93 -40.25 97.05 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 117.941 -2.974 . . . . 50.0 113.11 -179.565 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -64.43 -44.82 90.0 Favored 'General case' 0 C--N 1.377 1.786 0 CA-C-N 115.194 -0.912 . . . . 50.0 109.98 174.013 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.494 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 3.4 mp -55.95 -36.41 67.75 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 114.731 1.382 . . . . 50.0 114.731 -179.024 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.78 -27.95 53.62 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.293 1.22 . . . . 75.0 114.293 172.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -75.76 -14.39 60.32 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 123.117 1.437 . . . . 50.0 110.921 -176.107 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 11.2 m-85 -89.23 -1.76 58.21 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.281 -0.887 . . . . 50.0 109.32 178.469 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.15 2.3 12.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.438 -0.801 . . . . 50.0 111.019 176.421 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 . . . . . 0 CA--C 1.559 1.316 0 CA-C-O 125.418 2.532 . . . . 50.0 111.481 -169.12 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 125.822 2.725 . . . . 25.0 113.251 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 69.8 t -104.83 125.2 59.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 119.436 -2.04 . . . . 25.0 107.251 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.48 HD22 ' HB2' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -126.66 129.19 47.98 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.408 0.623 . . . . 50.0 111.111 -176.718 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -127.67 -146.64 0.33 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.737 -0.665 . . . . 50.0 109.755 176.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.14 79.61 7.76 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 106.591 -1.633 . . . . 75.0 106.591 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.38 124.32 23.19 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 -178.194 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.24 178.94 9.64 Favored 'General case' 0 C--N 1.32 -0.677 1 N-CA-C 99.32 -4.326 . . . . 50.0 99.32 178.33 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.421 0 C-N-CA 128.019 2.528 . . . . 75.0 111.53 175.449 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.8 t -60.79 -31.8 71.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.181 -1.574 . . . . 50.0 110.662 -177.006 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -60.67 -39.02 86.88 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 120.451 -1.406 . . . . 50.0 112.572 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.82 -35.9 77.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.824 -0.751 . . . . 50.0 111.461 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.86 -43.94 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.272 1.034 . . . . 25.0 111.808 177.539 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.11 -47.8 82.98 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.276 -1.379 . . . . 50.0 107.276 177.44 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.16 86.72 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.891 0.769 . . . . 25.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.28 -41.8 85.16 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 119.902 -0.719 . . . . 50.0 111.695 175.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.67 -47.99 78.61 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 118.263 -0.875 . . . . 25.0 112.436 172.43 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.1 -39.35 86.72 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 124.011 0.82 . . . . 50.0 111.358 -177.438 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -85.88 -31.08 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 N-CA-C 114.321 1.23 . . . . 50.0 114.321 -176.585 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -104.66 -31.29 9.45 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 121.312 -0.867 . . . . 50.0 112.753 -179.148 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.81 -178.98 35.28 Favored Glycine 0 CA--C 1.555 2.584 0 N-CA-C 108.464 -1.855 . . . . 25.0 108.464 -168.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.79 8.98 1.25 Allowed 'General case' 0 CA--C 1.57 1.74 0 CA-C-N 118.331 1.065 . . . . 50.0 111.906 176.122 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -24.43 46.07 Favored 'General case' 0 C--O 1.194 -1.852 0 O-C-N 121.461 -0.775 . . . . 50.0 110.221 174.12 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.14 -122.76 4.93 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-O 123.551 1.64 . . . . 50.0 109.675 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.11 166.55 9.38 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.242 -1.74 . . . . 25.0 114.257 -170.611 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -138.45 161.91 35.81 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.751 -2.314 . . . . 50.0 104.751 164.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 20.13 0.16 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.12 1.526 . . . . 50.0 115.12 -178.314 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.7 t 33.53 53.22 0.44 Allowed 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.424 2.009 . . . . 25.0 116.424 178.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -63.08 121.89 71.84 Favored Pre-proline 0 C--N 1.308 -1.196 0 N-CA-C 115.11 1.522 . . . . 50.0 115.11 -178.086 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.32 89.79 1.3 Allowed 'Trans proline' 0 CA--C 1.545 1.053 0 CA-C-O 123.362 1.317 . . . . 50.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.478 0.939 0 O-C-N 118.795 -2.441 . . . . 25.0 111.79 177.717 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.394 0 CA-C-O 125.513 2.73 . . . . 25.0 117.277 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.47 -38.5 81.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 119.295 -2.297 . . . . 25.0 111.298 -176.428 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -73.49 -40.52 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 108.139 -1.06 . . . . 75.0 108.139 -175.036 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.147 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -62.93 -41.48 99.49 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 118.409 0.549 . . . . 25.0 109.819 178.524 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -29.88 70.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 120.547 -1.345 . . . . 50.0 112.134 178.827 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -72.42 -57.72 3.96 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -74.39 -24.36 59.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.456 -1.402 . . . . 25.0 111.895 -170.042 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -132.78 -133.56 0.18 Allowed 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 117.889 -1.053 . . . . 50.0 111.965 -176.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.7 mm -110.79 -55.49 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 123.876 0.735 . . . . 25.0 111.626 -174.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 55.61 179.5 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 122.979 1.371 . . . . 25.0 111.799 -174.59 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -136.47 151.56 49.59 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.655 -1.903 . . . . 50.0 115.535 -176.25 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.04 -32.67 72.29 Favored 'General case' 1 C--O 1.358 6.8 0 CA-C-O 122.737 1.255 . . . . 75.0 110.76 176.353 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.33 -33.54 59.15 Favored 'General case' 0 C--O 1.205 -1.272 1 O-C-N 115.514 -4.491 . . . . 50.0 115.204 170.603 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.52 -41.36 32.5 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 119.929 -1.732 . . . . 50.0 106.757 177.429 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.29 -20.79 45.56 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 124.693 1.245 . . . . 50.0 111.078 -179.148 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.83 -27.47 42.29 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 119.638 1.108 . . . . 75.0 111.95 174.096 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -61.38 -25.07 66.93 Favored 'General case' 0 C--O 1.204 -1.309 0 O-C-N 121.51 -0.744 . . . . 50.0 112.386 -179.532 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -84.88 1.82 45.4 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.489 0.922 . . . . 50.0 113.489 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.57 178.36 7.16 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 121.243 -0.911 . . . . 50.0 111.733 -175.377 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 124.631 2.158 . . . . 50.0 112.783 171.334 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 118.224 2.675 . . . . 25.0 118.224 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.16 120.03 23.98 Favored 'Isoleucine or valine' 0 C--O 1.26 1.63 0 N-CA-C 103.646 -2.724 . . . . 25.0 103.646 168.388 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -128.9 162.95 26.35 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 111.955 0.354 . . . . 50.0 111.955 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -131.59 -174.07 3.3 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 104.885 -2.265 . . . . 50.0 104.885 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -58.62 131.85 52.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.968 0.804 . . . . 75.0 112.653 177.185 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -126.0 125.0 41.95 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.863 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -150.48 -53.62 0.15 Allowed 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 122.372 1.082 . . . . 50.0 112.381 -177.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.309 0 C-N-CA 128.101 2.56 . . . . 75.0 112.445 172.022 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p -50.07 -35.35 24.91 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 120.29 -1.506 . . . . 50.0 114.123 -179.057 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -66.6 -26.35 67.05 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.71 1.004 . . . . 50.0 113.71 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.67 -45.67 82.03 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 105.055 -2.202 . . . . 50.0 105.055 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -63.78 -46.27 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.097 0.873 . . . . 25.0 110.104 177.869 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.85 -39.95 72.19 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.435 -1.269 . . . . 50.0 109.619 176.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.65 77.21 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 119.298 0.954 . . . . 25.0 111.572 -177.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -45.95 86.81 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 115.777 -0.647 . . . . 50.0 110.146 176.5 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -62.47 -41.08 98.52 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.115 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.0 -41.71 90.7 Favored 'General case' 0 C--O 1.199 -1.559 0 N-CA-C 114.712 1.375 . . . . 50.0 114.712 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -80.25 -30.71 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 C-N-CA 118.538 -1.265 . . . . 50.0 112.684 -174.707 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -82.89 -38.59 22.7 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 118.721 -0.657 . . . . 50.0 110.79 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.1 174.77 14.2 Favored Glycine 0 CA--C 1.489 -1.552 0 CA-C-O 117.4 -1.778 . . . . 25.0 113.199 179.394 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.26 -14.59 63.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.636 1.718 . . . . 50.0 111.877 -176.658 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -15.99 63.37 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 113.57 -1.65 . . . . 50.0 113.031 -179.667 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.02 -167.78 54.7 Favored Glycine 0 C--O 1.193 -2.464 0 CA-C-O 122.185 0.88 . . . . 50.0 113.537 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -131.93 164.7 25.55 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 122.257 1.027 . . . . 25.0 108.363 -174.388 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.85 162.77 26.62 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 121.6 -0.688 . . . . 50.0 109.865 -174.044 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -110.89 -153.44 0.52 Allowed 'General case' 0 C--O 1.251 1.183 0 N-CA-C 106.107 -1.812 . . . . 50.0 106.107 172.161 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.72 100.38 6.88 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 174.527 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -141.03 152.75 65.94 Favored Pre-proline 0 N--CA 1.468 0.427 0 O-C-N 124.909 1.381 . . . . 50.0 110.951 -176.064 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -76.77 100.58 1.41 Allowed 'Trans proline' 0 CA--C 1.539 0.765 0 CA-C-O 123.218 1.257 . . . . 50.0 112.309 177.807 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.32 -0.675 0 O-C-N 118.592 -2.567 . . . . 25.0 113.221 -173.628 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.179 -3.29 0 N-CA-C 119.48 2.552 . . . . 25.0 119.48 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -56.66 -47.35 82.47 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.825 0 O-C-N 120.071 -1.841 . . . . 25.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.07 -35.08 70.31 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 119.919 -1.738 . . . . 75.0 109.373 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.29 -45.06 67.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -178.497 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -69.88 -36.61 75.59 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 117.936 -1.031 . . . . 25.0 111.1 -175.033 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.22 -13.01 11.78 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 117.983 2.586 . . . . 50.0 117.983 -171.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.38 -17.9 60.09 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.08 -1.013 . . . . 25.0 111.265 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 t -73.6 -5.44 40.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.367 1.467 . . . . 25.0 112.717 -175.83 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -149.75 -179.96 7.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.926 1.29 . . . . 50.0 110.447 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -77.3 99.87 2.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 175.005 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -75.86 113.91 13.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.067 -178.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -79.12 157.61 27.91 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.856 -1.164 . . . . 50.0 107.856 -169.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.45 -36.7 69.34 Favored 'General case' 0 C--O 1.301 3.776 0 C-N-CA 119.537 -0.865 . . . . 75.0 109.454 171.241 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.41 ' H ' HD12 ' A' ' 13' ' ' LEU . 19.0 t80 -64.81 -37.51 87.86 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 119.008 -2.307 . . . . 50.0 112.427 -178.04 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -72.28 -43.55 64.09 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 114.297 -1.319 . . . . 50.0 109.58 177.501 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.47 -30.12 70.4 Favored 'General case' 0 C--O 1.182 -2.471 0 O-C-N 121.292 -0.88 . . . . 50.0 112.207 178.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -61.92 -22.72 65.84 Favored 'General case' 0 C--O 1.184 -2.344 0 N-CA-C 113.178 0.807 . . . . 75.0 113.178 174.524 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -78.86 -3.41 44.52 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 119.127 -2.233 . . . . 50.0 113.728 178.01 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -102.35 -9.78 20.04 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.641 1.21 . . . . 50.0 109.561 175.752 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.1 t -83.54 146.76 28.16 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 114.811 -1.086 . . . . 50.0 109.714 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--O 1.209 -1.068 0 CA-C-O 125.437 2.541 . . . . 50.0 110.467 -178.888 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 123.154 1.454 . . . . 25.0 114.545 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.7 t -78.42 88.4 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 O-C-N 119.688 -1.882 . . . . 25.0 112.469 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -77.01 18.62 0.35 Allowed 'General case' 0 C--O 1.19 -2.051 0 CA-C-N 114.751 -1.113 . . . . 50.0 113.178 174.69 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -111.85 -4.92 14.45 Favored 'General case' 0 N--CA 1.412 -2.327 0 C-N-CA 122.643 0.377 . . . . 50.0 111.43 178.284 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.96 17.03 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 121.46 3.874 . . . . 75.0 121.46 174.859 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.65 147.36 22.76 Favored 'General case' 0 C--O 1.259 1.568 0 CA-C-O 123.241 1.496 . . . . 25.0 111.566 174.545 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m -120.4 -125.1 0.27 Allowed 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 113.298 -1.774 . . . . 50.0 113.436 -174.7 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.618 3.575 0 C-N-CA 129.273 3.029 . . . . 75.0 114.071 -169.018 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.06 -13.48 0.19 Allowed 'General case' 0 C--N 1.362 1.121 0 C-N-CA 127.918 2.487 . . . . 50.0 112.575 170.524 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -68.86 -35.34 76.8 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 115.878 1.807 . . . . 50.0 115.878 -175.138 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.85 -38.36 90.73 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 118.035 0.38 . . . . 50.0 111.184 173.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 t -66.26 -41.61 89.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 176.635 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -67.43 -36.77 81.87 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.21 -0.996 . . . . 50.0 111.209 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.85 80.74 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.57 -44.73 85.53 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.701 -0.681 . . . . 50.0 111.42 175.383 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -61.96 -42.53 99.22 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.435 -0.793 . . . . 25.0 110.524 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.33 -44.57 96.96 Favored 'General case' 0 N--CA 1.514 2.727 0 CA-C-N 119.199 0.909 . . . . 50.0 112.894 178.462 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.29 -27.63 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.974 0 O-C-N 123.694 0.621 . . . . 50.0 111.412 -178.687 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 -28.7 24.93 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-O 123.413 1.578 . . . . 50.0 109.602 -177.576 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.52 -174.08 20.79 Favored Glycine 0 C--O 1.247 0.915 0 N-CA-C 105.483 -3.047 . . . . 25.0 105.483 174.242 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.64 -10.54 59.92 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 113.863 1.06 . . . . 50.0 113.863 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -72.32 -25.06 61.42 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.239 0.543 . . . . 50.0 109.708 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.39 -175.89 32.21 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 122.966 1.314 . . . . 50.0 113.327 172.396 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -135.51 155.68 50.11 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.388 -1.066 . . . . 25.0 109.115 -175.335 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.38 150.89 25.05 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 121.815 -0.553 . . . . 50.0 111.703 -177.144 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -83.84 108.75 17.05 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.314 -0.995 . . . . 50.0 108.314 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -81.78 8.41 10.19 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 -179.299 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.62 139.8 97.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 113.539 0.94 . . . . 50.0 113.539 -177.696 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -83.3 49.6 3.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 CA-C-O 122.663 1.026 . . . . 50.0 112.017 176.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.348 0.536 0 CA-C-O 124.424 2.059 . . . . 25.0 113.894 178.922 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.967 0 CA-C-O 125.822 2.901 . . . . 25.0 112.405 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.82 -35.84 70.21 Favored 'Isoleucine or valine' 0 C--O 1.167 -3.257 0 CA-C-N 109.665 -3.268 . . . . 25.0 109.426 -177.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.68 -34.86 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 O-C-N 120.414 -1.429 . . . . 75.0 113.765 173.59 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.1 -35.97 74.52 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.537 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.75 -42.94 99.91 Favored 'General case' 0 C--O 1.199 -1.574 0 CA-C-N 114.028 -1.442 . . . . 25.0 110.072 175.747 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.7 m -68.35 -21.17 64.74 Favored 'General case' 0 C--O 1.197 -1.662 0 CA-C-N 115.232 -0.895 . . . . 50.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.07 -42.08 16.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 175.226 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -86.5 -16.53 36.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.201 -1.562 . . . . 25.0 115.212 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -128.71 -176.37 3.82 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.464 -1.31 . . . . 50.0 107.464 -174.003 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.23 132.39 31.67 Favored 'Isoleucine or valine' 0 C--O 1.251 1.149 0 CA-C-O 121.702 0.763 . . . . 25.0 109.555 178.209 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -100.83 162.92 12.57 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.041 -175.635 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -130.77 159.72 36.48 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 123.473 1.606 . . . . 50.0 112.817 177.192 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.56 -37.0 77.31 Favored 'General case' 1 C--O 1.319 4.747 0 O-C-N 119.455 -2.028 . . . . 75.0 110.576 177.627 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -63.34 -38.98 93.25 Favored 'General case' 0 C--O 1.201 -1.495 0 O-C-N 117.225 -3.422 . . . . 50.0 111.9 177.518 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.09 -40.89 95.26 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.733 0.778 . . . . 50.0 109.868 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.67 -38.81 75.77 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 113.64 -1.618 . . . . 50.0 112.404 -175.862 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.98 -25.43 63.59 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 116.006 1.854 . . . . 75.0 116.006 -178.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -71.29 -11.48 60.94 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.936 0.717 . . . . 50.0 112.936 -179.674 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -96.21 12.08 32.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 120.147 -0.621 . . . . 50.0 110.074 174.033 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -126.62 177.82 6.28 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 106.081 -1.822 . . . . 50.0 106.081 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 . . . . . 0 CA--C 1.573 1.845 0 CA-C-O 126.908 3.242 . . . . 50.0 111.525 173.311 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 121.545 0.688 . . . . 25.0 111.996 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -85.14 132.82 30.8 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 -175.836 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -79.81 125.45 29.71 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.86 -0.792 . . . . 50.0 108.86 177.587 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -150.8 -162.95 1.66 Allowed 'General case' 0 C--O 1.249 1.077 0 C-N-CA 119.908 -0.717 . . . . 50.0 111.398 -175.463 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -72.3 150.05 43.9 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.551 0.532 . . . . 75.0 110.135 175.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -133.73 90.8 2.75 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 118.47 0.577 . . . . 25.0 110.194 171.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.5 m -96.47 161.91 13.7 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 112.442 0.534 . . . . 50.0 112.442 175.617 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.612 3.327 0 C-N-CA 126.71 2.004 . . . . 75.0 115.232 179.677 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -64.71 -30.89 71.92 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 125.697 1.599 . . . . 50.0 110.319 -176.294 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -64.1 -34.53 78.26 Favored 'General case' 0 CA--C 1.561 1.377 0 CA-C-N 119.891 1.223 . . . . 50.0 111.547 -178.453 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.4 -39.63 81.61 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-O 121.907 0.86 . . . . 50.0 109.733 177.12 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.07 -44.68 99.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.417 -0.802 . . . . 25.0 109.541 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.36 -42.19 98.87 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.361 0.601 . . . . 50.0 111.273 178.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.52 84.61 Favored 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 177.265 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.55 -44.61 95.93 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 176.104 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.8 -41.35 97.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 118.831 -0.604 . . . . 25.0 110.643 179.825 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.94 -44.74 84.18 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 120.336 -0.546 . . . . 50.0 109.753 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -81.29 -25.28 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.01 0 N-CA-C 116.645 2.091 . . . . 50.0 116.645 -175.749 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.59 -5.82 8.12 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 119.056 -1.058 . . . . 50.0 113.667 -171.098 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.21 -166.11 13.31 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.958 -0.639 . . . . 25.0 113.136 172.418 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.52 79.31 0.27 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 115.509 1.67 . . . . 50.0 115.509 -175.691 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.78 30.72 7.23 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 115.382 1.623 . . . . 50.0 115.382 169.331 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.66 9.56 64.81 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 120.495 -0.859 . . . . 50.0 113.498 -179.17 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.51 -53.23 3.39 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 117.499 0.649 . . . . 25.0 112.043 -173.794 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -156.86 -167.98 2.53 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 106.883 -1.525 . . . . 50.0 106.883 -170.636 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 71.32 32.93 2.05 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 125.447 1.717 . . . . 50.0 110.948 175.449 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -124.44 104.29 8.67 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 113.526 -1.67 . . . . 25.0 107.067 173.825 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -142.17 132.81 12.77 Favored Pre-proline 0 C--O 1.217 -0.618 0 N-CA-C 106.098 -1.816 . . . . 50.0 106.098 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -78.02 75.38 4.85 Favored 'Trans proline' 0 CA--C 1.563 1.951 0 CA-C-O 122.179 0.825 . . . . 50.0 112.425 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.209 -1.028 0 CA-C-O 123.396 1.569 . . . . 25.0 112.516 -176.193 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 CA-C-O 123.634 1.686 . . . . 25.0 112.23 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.16 -48.24 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.636 1.974 . . . . 25.0 112.052 -174.325 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 m -72.13 -32.67 44.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 120.44 -0.504 . . . . 75.0 110.415 177.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.5 -38.31 90.59 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 123.797 0.686 . . . . 25.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -80.61 -38.87 28.5 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 124.735 1.272 . . . . 25.0 112.318 -177.108 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.73 -22.94 3.79 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 119.337 3.088 . . . . 50.0 119.337 -170.635 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.59 -32.5 62.38 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.393 -1.442 . . . . 25.0 108.515 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -88.25 147.18 24.95 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 173.277 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t 56.92 -157.32 0.28 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 117.054 -1.45 . . . . 50.0 112.165 -171.396 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -100.46 122.96 53.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 -174.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.87 129.03 34.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 177.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -91.15 152.45 20.57 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 121.855 -0.528 . . . . 50.0 110.913 176.054 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.86 -29.79 70.3 Favored 'General case' 1 C--O 1.321 4.837 0 CA-C-O 123.075 1.417 . . . . 75.0 112.543 178.219 . . . . . . . . 4 4 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -58.47 -41.27 84.87 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 116.691 -3.756 . . . . 50.0 114.595 165.556 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.08 -43.14 65.32 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 118.365 -2.709 . . . . 50.0 107.942 -175.444 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.47 -39.03 82.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.335 -0.848 . . . . 50.0 111.936 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.47 -19.92 65.15 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 117.967 -1.493 . . . . 75.0 112.498 -177.08 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -68.62 -20.11 64.47 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 -176.198 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.97 9.93 23.31 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 109.914 -0.402 . . . . 50.0 109.914 -178.393 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.5 m -74.93 -12.17 60.29 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 119.032 0.833 . . . . 50.0 109.802 173.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--O 1.207 -1.134 0 CA-C-O 124.553 2.121 . . . . 50.0 108.706 164.462 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.2 t80 . . . . . 0 CA--C 1.484 -1.582 0 CA-C-O 124.706 2.193 . . . . 25.0 109.315 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t -96.55 120.51 45.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 O-C-N 119.86 -1.775 . . . . 25.0 109.24 -176.904 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -79.97 96.76 6.51 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 116.183 -0.462 . . . . 50.0 109.991 176.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -148.27 173.61 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.379 0.881 . . . . 50.0 113.379 -179.607 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.44 72.25 10.25 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 122.519 1.152 . . . . 75.0 108.046 176.006 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -78.9 91.75 4.82 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 122.972 1.367 . . . . 25.0 109.073 -174.445 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.4 m -106.63 -179.26 3.89 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.328 -0.851 . . . . 50.0 111.258 -179.871 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.671 0 C-N-CA 127.409 2.283 . . . . 75.0 112.213 174.578 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.8 t -53.19 -40.4 64.38 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 121.666 0.746 . . . . 50.0 111.32 177.815 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.77 -18.33 64.83 Favored 'General case' 0 CA--C 1.567 1.613 0 O-C-N 121.572 -0.705 . . . . 50.0 112.29 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.2 -39.82 68.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.438 -0.578 . . . . 50.0 109.438 175.087 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.74 -40.18 78.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 114.71 -1.132 . . . . 25.0 108.038 -177.249 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -58.95 -46.24 88.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.969 -1.014 . . . . 50.0 109.41 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.81 85.98 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 124.345 1.028 . . . . 25.0 110.404 -176.443 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -38.1 87.68 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.962 0.905 . . . . 50.0 109.465 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -66.28 -43.93 84.99 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.615 0.572 . . . . 25.0 111.213 173.176 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.67 -41.19 98.21 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 120.346 -0.542 . . . . 50.0 112.454 -179.452 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.6 -31.19 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 N-CA-C 113.079 0.77 . . . . 50.0 113.079 -178.236 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -18.08 58.16 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 108.02 -1.104 . . . . 50.0 108.02 175.171 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.78 174.78 36.7 Favored Glycine 0 C--O 1.194 -2.398 0 CA-C-N 114.786 -1.097 . . . . 25.0 113.16 177.479 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.88 -13.4 59.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 118.946 1.373 . . . . 50.0 110.722 174.61 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -68.6 -28.34 66.84 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.703 -1.135 . . . . 50.0 108.491 178.15 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.26 178.53 50.75 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-O 122.492 1.051 . . . . 50.0 115.088 172.41 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.418 ' HB2' ' H ' ' B' ' 25' ' ' PHE . 0.1 OUTLIER -89.27 -130.08 0.08 Allowed 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 105.99 -1.856 . . . . 25.0 105.99 -179.82 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.418 ' H ' ' HB2' ' B' ' 24' ' ' PHE . 17.7 m-85 -76.13 111.45 11.55 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 119.844 -1.785 . . . . 50.0 111.208 178.757 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -113.42 14.39 19.12 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 106.085 -1.82 . . . . 50.0 106.085 166.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -83.39 88.72 6.97 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 114.432 -1.258 . . . . 25.0 111.131 -178.396 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -76.29 141.75 70.67 Favored Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 118.956 -1.098 . . . . 50.0 108.61 178.643 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.24 92.56 0.91 Allowed 'Trans proline' 0 CA--C 1.555 1.556 0 CA-C-O 123.774 1.489 . . . . 50.0 113.722 177.271 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.31 -1.11 0 CA-C-O 124.988 2.328 . . . . 25.0 113.215 -178.583 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.525 0 N-CA-C 117.59 1.796 . . . . 25.0 117.59 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp -59.67 -43.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 113.696 -1.252 . . . . 25.0 109.832 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.3 t -59.62 -48.61 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.773 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.11 -43.69 94.53 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 123.116 0.567 . . . . 25.0 111.575 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -67.44 -41.12 85.25 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 119.454 -0.899 . . . . 25.0 110.131 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -81.0 -8.98 59.89 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.663 -1.273 . . . . 25.0 112.134 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.05 -36.99 69.75 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -102.76 -0.14 31.98 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -146.71 157.76 43.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.885 -0.598 . . . . 25.0 110.103 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.89 137.92 22.66 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.0 m -133.87 89.67 2.61 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 122.037 0.922 . . . . 25.0 111.097 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.0 p -69.35 163.0 26.13 Favored 'General case' 0 CA--C 1.493 -1.247 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.54 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.56 -28.46 20.97 Favored 'General case' 1 C--O 1.312 4.358 0 O-C-N 119.068 -2.27 . . . . 25.0 113.384 170.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -64.34 -42.69 96.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.692 -1.88 . . . . 25.0 111.663 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -72.41 -41.49 66.18 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 113.865 -1.516 . . . . 25.0 112.731 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.76 -27.84 66.87 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.909 1.078 . . . . 25.0 113.909 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.45 -29.49 64.25 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 113.917 1.081 . . . . 25.0 113.917 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.02 -20.71 65.03 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.974 -1.079 . . . . 25.0 111.295 -175.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -90.04 -7.38 54.03 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 122.267 -0.27 . . . . 25.0 111.249 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.29 11.06 33.9 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 115.455 -0.793 . . . . 25.0 111.427 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t30 . . . . . 0 CA--C 1.564 1.488 0 CA-C-O 124.347 2.022 . . . . 25.0 109.616 -179.07 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.24 139.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 121.351 -0.843 . . . . 25.0 109.832 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -100.98 75.71 1.7 Allowed 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 105.778 -1.934 . . . . 25.0 105.778 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.19 -164.33 1.36 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.746 -1.205 . . . . 25.0 107.746 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -75.69 146.69 39.98 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -127.53 95.01 4.12 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.584 2.261 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 173.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 122.757 1.265 . . . . 25.0 111.714 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -54.71 -32.07 59.04 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 115.072 -0.967 . . . . 25.0 113.058 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.66 -44.18 87.12 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 119.413 -0.327 . . . . 25.0 110.737 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.2 t -68.92 -40.27 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 122.395 1.093 . . . . 25.0 109.722 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.97 -46.83 89.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.98 -1.075 . . . . 25.0 111.763 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.91 91.83 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.272 1.034 . . . . 25.0 113.356 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.62 -42.32 95.58 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.923 -1.111 . . . . 25.0 109.476 175.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.5 -35.62 79.94 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.835 -1.079 . . . . 25.0 111.054 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.42 -39.92 81.41 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 119.325 -0.95 . . . . 25.0 112.865 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.34 -31.97 16.43 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 C-N-CA 119.3 -0.96 . . . . 25.0 112.081 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -29.39 41.62 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.49 -55.24 4.08 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 118.216 -1.324 . . . . 25.0 113.661 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -123.14 42.75 3.12 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.73 1.752 . . . . 25.0 115.73 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 54.06 40.29 31.47 Favored 'General case' 0 C--O 1.189 -2.08 0 N-CA-C 116.031 1.863 . . . . 25.0 116.031 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.26 44.16 3.0 Favored Glycine 0 C--O 1.212 -1.221 0 O-C-N 120.921 -1.112 . . . . 25.0 113.753 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.6 p90 . . . . . 0 C--N 1.306 -1.319 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 179.757 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 118.135 2.014 . . . . 25.0 118.135 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.8 mt -53.77 -57.46 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.832 1.653 . . . . 25.0 112.042 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.38 -47.46 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 119.069 -2.269 . . . . 25.0 110.594 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.18 -40.38 89.77 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 118.891 -0.576 . . . . 25.0 112.487 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -71.56 -39.3 70.71 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.674 0.75 . . . . 25.0 112.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -80.75 -52.68 7.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.553 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.2 t -72.42 -18.83 61.68 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.523 0.935 . . . . 25.0 113.523 -172.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -74.48 -10.26 59.39 Favored 'General case' 0 C--O 1.246 0.882 0 O-C-N 120.449 -1.407 . . . . 25.0 113.271 -174.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.53 -168.98 3.26 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -70.24 129.58 34.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 166.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.17 137.33 40.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.009 0.923 . . . . 25.0 109.147 -174.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -113.76 155.81 24.96 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 119.576 1.08 . . . . 25.0 113.591 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.06 -29.95 71.06 Favored 'General case' 1 C--O 1.318 4.709 0 CA-C-O 122.561 1.172 . . . . 25.0 112.46 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 119.5 -2.0 . . . . 25.0 110.389 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.35 -41.73 72.77 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 119.71 -1.868 . . . . 25.0 112.54 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.259 -1.525 . . . . 25.0 113.511 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -61.54 -22.2 64.94 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 118.502 -0.761 . . . . 25.0 110.463 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.55 -21.58 65.67 Favored 'General case' 0 C--O 1.205 -1.248 0 CA-C-N 120.052 1.296 . . . . 25.0 110.165 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.86 14.23 24.36 Favored 'General case' 0 C--O 1.26 1.643 0 O-C-N 123.761 0.663 . . . . 25.0 111.597 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 150.52 42.3 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.026 -0.988 . . . . 25.0 110.555 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.1 p30 . . . . . 0 C--O 1.204 -1.337 0 O-C-N 125.402 1.689 . . . . 25.0 112.793 177.678 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 C--O 1.207 -1.14 0 CA-C-O 120.958 0.409 . . . . 25.0 111.651 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.1 133.75 30.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -76.84 129.25 35.97 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 122.808 1.29 . . . . 25.0 112.145 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.39 173.63 13.8 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -76.77 -16.92 59.33 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.012 -0.995 . . . . 25.0 110.871 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 mt 48.48 59.13 4.54 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.018 0.927 . . . . 25.0 112.589 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -178.798 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.932 0.872 . . . . 25.0 112.738 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -74.49 -29.04 61.27 Favored 'General case' 0 C--O 1.179 -2.607 0 O-C-N 121.395 -0.816 . . . . 25.0 109.612 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.56 -37.18 79.69 Favored 'General case' 0 C--O 1.194 -1.839 0 O-C-N 121.115 -0.991 . . . . 25.0 108.596 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.69 -43.62 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.341 -1.474 . . . . 25.0 107.29 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.61 -42.14 91.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.094 -1.004 . . . . 25.0 111.797 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.14 90.85 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.303 0.641 . . . . 25.0 110.025 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.59 -42.34 96.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.028 0.442 . . . . 25.0 110.855 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -62.43 -42.3 99.34 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.399 -0.813 . . . . 25.0 111.078 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.32 -42.83 83.0 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.587 -0.845 . . . . 25.0 110.141 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -76.03 -29.62 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 118.042 -0.98 . . . . 25.0 112.198 -174.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -28.2 36.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 122.651 1.215 . . . . 25.0 109.002 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.66 -169.14 48.56 Favored Glycine 0 N--CA 1.439 -1.126 0 N-CA-C 108.881 -1.688 . . . . 25.0 108.881 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.29 -8.13 16.53 Favored 'General case' 0 C--O 1.259 1.583 0 O-C-N 121.626 -0.926 . . . . 25.0 113.219 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -56.56 -36.34 69.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.654 1.221 . . . . 25.0 108.132 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.82 168.16 33.97 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-O 123.443 1.579 . . . . 25.0 113.275 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -178.207 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.313 0 CA-C-O 124.153 1.974 . . . . 25.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.0 mt -52.54 -62.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.576 0 CA-C-N 111.864 -2.168 . . . . 25.0 112.511 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.25 -43.0 97.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 107.767 -1.197 . . . . 25.0 107.767 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.68 -49.15 77.66 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.199 -173.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.13 -42.88 65.52 Favored 'General case' 0 C--O 1.241 0.653 0 O-C-N 119.907 -1.746 . . . . 25.0 107.644 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.29 -20.93 65.91 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.841 0.746 . . . . 25.0 111.893 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -96.16 -43.8 7.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.885 -0.509 . . . . 25.0 110.946 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -69.46 -21.78 63.69 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 122.991 1.377 . . . . 25.0 113.168 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.5 m -128.88 170.96 12.77 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.247 -1.533 . . . . 25.0 107.831 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.4 mm -63.42 134.86 28.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 105.583 -2.006 . . . . 25.0 105.583 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -120.25 81.32 1.73 Allowed 'General case' 0 C--O 1.244 0.773 0 CA-C-O 122.693 1.235 . . . . 25.0 111.919 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -64.86 167.73 7.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.565 1.174 . . . . 25.0 113.83 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 mt -58.34 -38.69 77.69 Favored 'General case' 1 C--O 1.335 5.566 0 O-C-N 120.145 -1.597 . . . . 25.0 112.809 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.84 -36.52 72.42 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 118.304 -2.748 . . . . 25.0 113.221 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -76.15 -45.15 34.96 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 119.362 -0.935 . . . . 25.0 108.523 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.45 -36.74 34.76 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.105 1.15 . . . . 25.0 114.105 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -60.34 -30.96 69.87 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.75 -16.15 63.26 Favored 'General case' 0 C--O 1.2 -1.518 0 C-N-CA 119.434 -0.906 . . . . 25.0 113.232 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -96.47 3.93 52.44 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 121.168 0.508 . . . . 25.0 111.104 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -94.41 -153.15 0.37 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.228 1.013 . . . . 25.0 108.659 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 N--CA 1.502 2.127 0 O-C-N 117.758 -3.089 . . . . 25.0 113.583 -179.387 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 115.027 1.492 . . . . 25.0 115.027 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.29 139.98 37.4 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -78.01 85.99 4.21 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 124.432 1.082 . . . . 25.0 109.524 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -154.57 -175.34 5.36 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -71.35 146.49 48.77 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 120.91 -1.119 . . . . 25.0 108.607 175.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.66 111.03 15.72 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 124.557 1.161 . . . . 25.0 109.159 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.551 0.992 0 CA-C-O 121.018 0.437 . . . . 25.0 110.246 -173.696 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t . . . . . 0 N--CA 1.445 -0.679 0 CA-C-O 121.098 0.475 . . . . 25.0 111.658 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -63.72 -33.1 74.9 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 119.89 -0.724 . . . . 25.0 112.603 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.77 -46.03 66.7 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 106.83 -1.545 . . . . 25.0 106.83 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.25 -50.63 77.77 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 O-C-N 121.27 -0.894 . . . . 25.0 110.142 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.626 -0.715 . . . . 25.0 110.565 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.84 82.93 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.409 1.1 . . . . 25.0 109.908 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.56 -41.28 98.41 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.824 -1.08 . . . . 25.0 113.102 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.71 -35.2 80.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.489 0.661 . . . . 25.0 111.941 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.7 mt -68.75 -47.76 65.45 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-O 121.453 0.644 . . . . 25.0 112.571 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -74.56 -34.86 36.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 118.277 -1.369 . . . . 25.0 110.807 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -82.57 -21.09 35.38 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 121.635 -0.666 . . . . 25.0 109.598 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 179.58 46.31 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 123.207 1.448 . . . . 25.0 113.06 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -72.26 -0.83 13.19 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 121.479 -1.012 . . . . 25.0 112.766 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -27.32 64.36 Favored 'General case' 0 C--O 1.204 -1.299 0 O-C-N 125.871 1.982 . . . . 25.0 108.437 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 164.43 38.01 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 114.117 -1.401 . . . . 25.0 115.97 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 21.7 p90 . . . . . 0 C--N 1.318 -0.767 0 N-CA-C 106.48 -1.674 . . . . 25.0 106.48 179.401 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 114.347 0.499 . . . . 25.0 114.347 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.4 mt -61.35 -43.7 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -172.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.21 -43.51 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-O 121.772 0.796 . . . . 25.0 109.983 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -72.06 -39.25 69.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.471 -1.393 . . . . 25.0 112.367 -175.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.05 -41.73 94.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 125.414 1.697 . . . . 25.0 113.232 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -85.67 -51.25 6.58 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.63 -16.53 61.18 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -72.06 -5.21 33.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.932 -1.105 . . . . 25.0 113.715 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.7 p -139.96 -175.59 4.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 105.73 -1.952 . . . . 25.0 105.73 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.62 124.61 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 104.629 -2.36 . . . . 25.0 104.629 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.43 150.13 36.78 Favored 'General case' 0 CA--C 1.484 -1.56 0 CA-C-N 114.335 -1.302 . . . . 25.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -135.1 148.99 49.97 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 113.351 -1.75 . . . . 25.0 110.65 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.0 mm? -61.58 -33.43 73.87 Favored 'General case' 1 C--O 1.313 4.435 0 CA-C-O 124.726 2.203 . . . . 25.0 113.487 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.71 -40.04 95.93 Favored 'General case' 0 C--N 1.324 -0.517 1 O-C-N 115.625 -4.422 . . . . 25.0 112.452 171.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -72.23 -41.76 66.48 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 119.229 -2.17 . . . . 25.0 109.167 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.72 -29.11 64.46 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 114.322 1.23 . . . . 25.0 114.322 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.36 -25.84 67.43 Favored 'General case' 0 N--CA 1.439 -1.01 0 O-C-N 123.331 0.395 . . . . 25.0 111.821 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.72 -19.21 63.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.677 -0.639 . . . . 25.0 112.153 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.48 -2.39 36.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.67 164.85 18.36 Favored 'General case' 0 C--O 1.197 -1.679 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 CA--C 1.572 1.818 0 CA-C-O 124.258 1.98 . . . . 25.0 114.358 -172.517 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 122.095 0.95 . . . . 25.0 113.292 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t 62.83 102.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 126.098 1.759 . . . . 25.0 112.491 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -87.94 59.18 5.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.152 -1.386 . . . . 25.0 111.588 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.39 -165.13 1.96 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.617 -0.677 . . . . 25.0 109.977 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -77.83 93.82 4.41 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.48 122.19 26.13 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.699 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--O 1.197 -1.69 0 CA-C-O 122.401 1.096 . . . . 25.0 111.479 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -68.69 -33.14 73.45 Favored 'General case' 0 C--O 1.187 -2.218 0 C-N-CA 119.582 -0.847 . . . . 25.0 111.176 -174.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.48 -38.4 74.39 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 122.434 1.111 . . . . 25.0 109.734 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.53 -44.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 120.964 -1.085 . . . . 25.0 108.648 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.25 -42.43 99.19 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 118.966 -0.54 . . . . 25.0 109.81 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.42 95.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.69 97.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -65.4 -35.34 80.65 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 123.409 1.576 . . . . 25.0 113.877 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -72.39 -38.69 68.41 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 113.906 -1.497 . . . . 25.0 110.567 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -82.42 -34.62 12.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 119.31 -0.956 . . . . 25.0 112.56 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.72 -35.51 38.81 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 119.34 0.973 . . . . 25.0 110.038 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.76 173.63 14.52 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 120.457 -0.877 . . . . 25.0 112.892 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.79 -16.76 63.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.799 1.037 . . . . 25.0 113.799 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -76.64 -0.01 21.87 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 122.213 -0.304 . . . . 25.0 110.455 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -176.77 54.58 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 110.082 -1.207 . . . . 25.0 110.082 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.194 -1.833 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 -177.423 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.14 0 CA-C-O 121.564 0.536 . . . . 25.0 111.925 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.17 -51.36 63.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.517 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.01 -31.8 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 CA-C-N 115.263 -0.881 . . . . 25.0 112.494 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.9 -36.79 72.87 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 108.031 -1.099 . . . . 25.0 108.031 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -70.56 -41.84 71.92 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -100.08 -22.15 15.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 120.533 3.531 . . . . 25.0 120.533 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.33 -11.97 59.97 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.538 -1.351 . . . . 25.0 109.012 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -121.32 151.54 39.97 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.842 -1.161 . . . . 25.0 108.067 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t 48.33 -148.14 0.22 Allowed 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.716 -171.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.5 112.8 21.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 105.692 -1.966 . . . . 25.0 105.692 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.1 p -83.7 159.43 21.51 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.271 0.357 . . . . 25.0 110.621 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -102.2 153.73 19.69 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 121.293 0.568 . . . . 25.0 112.144 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 mt -67.81 -19.77 65.11 Favored 'General case' 1 C--O 1.325 5.043 0 N-CA-C 106.67 -1.604 . . . . 25.0 106.67 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -63.3 -43.81 96.79 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.367 -3.333 . . . . 25.0 110.584 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -68.05 -40.94 82.7 Favored 'General case' 0 C--O 1.172 -3.0 0 CA-C-N 114.254 -1.339 . . . . 25.0 110.824 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.17 -39.39 82.37 Favored 'General case' 0 C--O 1.182 -2.495 0 O-C-N 120.759 -1.213 . . . . 25.0 109.827 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.64 -20.95 66.59 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.326 -0.858 . . . . 25.0 112.806 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -71.84 -16.64 62.16 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.547 -0.739 . . . . 25.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -85.98 -6.62 59.02 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 118.702 0.683 . . . . 25.0 110.093 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.3 m -76.06 167.26 22.19 Favored 'General case' 0 C--O 1.197 -1.697 0 CA-C-O 123.99 1.852 . . . . 25.0 106.635 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.506 2.371 0 CA-C-O 125.248 2.451 . . . . 25.0 115.688 174.814 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.0 t -91.35 118.48 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -108.93 128.56 55.04 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 114.732 -1.122 . . . . 25.0 112.145 -170.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -133.9 -155.35 0.66 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.296 -1.32 . . . . 25.0 108.46 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -85.69 75.95 10.02 Favored 'General case' 0 CA--C 1.466 -2.257 0 C-N-CA 123.029 0.531 . . . . 25.0 109.907 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.13 125.52 25.24 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 107.694 -1.225 . . . . 25.0 107.694 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -173.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 115.369 1.618 . . . . 25.0 115.369 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -63.62 -27.67 69.39 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 120.372 -1.455 . . . . 25.0 112.073 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.75 -42.13 91.29 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 108.215 -1.032 . . . . 25.0 108.215 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.8 t -66.85 -43.76 89.42 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.421 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -62.68 -39.74 94.92 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.402 -0.811 . . . . 25.0 110.453 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.97 84.46 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 118.432 0.56 . . . . 25.0 109.966 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -41.65 77.64 Favored 'General case' 0 C--O 1.206 -1.189 0 CA-C-O 121.169 0.509 . . . . 25.0 110.615 176.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -63.93 -43.16 96.73 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 119.578 -0.849 . . . . 25.0 112.092 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 mt -59.6 -47.05 87.09 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.454 0.645 . . . . 25.0 110.779 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.74 -28.27 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 O-C-N 120.507 -1.371 . . . . 25.0 112.053 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -85.75 -22.37 27.77 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 -173.15 50.27 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-O 124.816 2.342 . . . . 25.0 109.737 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -68.49 -11.0 59.2 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 112.823 -1.689 . . . . 25.0 109.371 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.8 mmm-85 -60.46 -31.61 70.61 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 122.439 1.114 . . . . 25.0 111.897 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.01 156.27 31.37 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 117.562 -1.688 . . . . 25.0 112.933 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.2 p90 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 124.067 1.889 . . . . 25.0 110.836 -175.615 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.006 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.444 ' H ' HG13 ' A' ' 2' ' ' ILE . 6.5 mt -57.6 -46.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 CA-C-O 121.004 0.43 . . . . 25.0 111.291 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -71.54 -31.51 42.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 CA-C-O 121.746 0.784 . . . . 25.0 112.66 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -64.63 -50.87 65.42 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -65.36 -40.31 93.43 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -79.85 -16.38 55.54 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.15 -38.07 10.31 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 120.69 -1.256 . . . . 25.0 113.102 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -75.14 -22.53 58.09 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 122.137 -0.352 . . . . 25.0 111.074 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.7 p -153.05 162.92 40.75 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 123.505 0.722 . . . . 25.0 110.334 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.72 95.11 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -68.37 150.82 47.72 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.655 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -92.95 147.56 22.74 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 121.603 0.716 . . . . 25.0 111.355 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.6 mt -55.83 -39.55 71.57 Favored 'General case' 1 C--O 1.34 5.829 0 CA-C-N 115.696 -0.684 . . . . 25.0 112.225 174.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -58.27 -35.16 71.34 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 118.562 -2.586 . . . . 25.0 114.168 171.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.03 -37.76 78.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.275 -1.515 . . . . 25.0 111.641 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -34.94 78.86 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.275 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -60.88 -19.28 59.98 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 114.836 1.421 . . . . 25.0 114.836 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -70.87 -16.39 62.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.016 0.913 . . . . 25.0 111.925 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -106.96 14.81 26.06 Favored 'General case' 0 CA--C 1.492 -1.252 0 C-N-CA 124.663 1.185 . . . . 25.0 108.258 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.64 -177.24 4.39 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 102.817 -3.031 . . . . 25.0 102.817 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--O 1.189 -2.081 0 CA-C-O 124.727 2.203 . . . . 25.0 111.735 179.66 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.5 t80 . . . . . 0 CA--C 1.483 -1.616 0 N-CA-C 115.676 1.732 . . . . 25.0 115.676 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.0 t -79.55 133.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 114.771 -1.104 . . . . 25.0 111.71 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -113.42 125.63 54.45 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 123.247 1.499 . . . . 25.0 109.745 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.77 -156.19 0.68 Allowed 'General case' 0 C--O 1.197 -1.69 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.67 93.38 2.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 106.397 -1.705 . . . . 25.0 106.397 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.81 78.41 7.59 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 121.469 -0.769 . . . . 25.0 112.081 -171.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 83.9 m . . . . . 0 CA--C 1.563 1.45 0 CA-C-O 122.771 1.272 . . . . 25.0 107.953 -178.503 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -67.58 -36.0 80.06 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 124.6 1.187 . . . . 25.0 111.486 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.04 -47.01 81.86 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 106.948 -1.501 . . . . 25.0 106.948 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.43 -46.71 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 CA-C-N 115.202 -0.908 . . . . 25.0 110.642 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -57.5 -44.85 85.31 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.204 0.94 . . . . 25.0 110.463 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.27 91.44 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 120.684 0.278 . . . . 25.0 111.322 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -56.7 -46.56 81.16 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.059 0.457 . . . . 25.0 110.066 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -61.81 -41.55 97.9 Favored 'General case' 0 C--O 1.191 -1.979 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.51 -33.15 68.96 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 119.408 -0.917 . . . . 25.0 112.875 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.28 -32.62 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 119.973 -1.704 . . . . 25.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.88 -39.97 29.36 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 119.126 -1.03 . . . . 25.0 110.322 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.87 178.55 17.33 Favored Glycine 0 C--O 1.248 0.969 0 CA-C-O 122.445 1.025 . . . . 25.0 111.947 -175.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.63 -13.22 62.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.95 -0.625 . . . . 25.0 109.744 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -12.85 61.28 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 124.197 0.936 . . . . 25.0 109.991 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 173.92 46.73 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-O 123.832 1.796 . . . . 25.0 112.776 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--O 1.206 -1.233 0 C-N-CA 125.592 1.557 . . . . 25.0 111.965 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.556 0 CA-C-O 125.792 2.884 . . . . 25.0 110.339 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mp -66.18 -46.82 86.55 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.076 0 CA-C-N 110.603 -2.799 . . . . 25.0 111.424 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.504 HG12 HD12 ' B' ' 11' ' ' LEU . 32.7 m -71.07 -32.89 49.5 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 O-C-N 121.043 -1.036 . . . . 25.0 110.22 -176.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -64.55 -47.04 80.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.514 -0.312 . . . . 25.0 110.646 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -66.49 -45.08 80.81 Favored 'General case' 0 CA--C 1.559 1.32 0 O-C-N 123.358 0.411 . . . . 25.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -71.38 -23.69 61.94 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.243 1.572 . . . . 25.0 115.243 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.54 -37.79 59.78 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 120.539 1.518 . . . . 25.0 112.727 172.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -86.12 -26.66 25.1 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.579 1.081 . . . . 25.0 113.166 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t -126.46 179.66 5.2 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 -171.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mm -89.8 131.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.4 m -113.35 87.32 2.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.824 0.85 . . . . 25.0 112.664 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.7 m -68.01 153.29 44.04 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.98 0.895 . . . . 25.0 110.546 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -52.59 -45.0 66.32 Favored 'General case' 1 C--O 1.324 4.995 0 O-C-N 119.644 -1.91 . . . . 25.0 109.942 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -55.01 -42.47 72.6 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 116.172 -4.08 . . . . 25.0 113.891 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.14 -38.0 78.58 Favored 'General case' 0 CA--C 1.559 1.31 0 O-C-N 119.831 -1.793 . . . . 25.0 112.008 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -60.2 -30.17 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.427 -0.796 . . . . 25.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.23 -23.84 62.66 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-O 119.157 -0.449 . . . . 25.0 110.909 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.35 -19.76 65.48 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.122 1.328 . . . . 25.0 112.418 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.6 -3.7 35.65 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.553 0.692 . . . . 25.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -70.38 158.92 35.1 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 121.875 0.845 . . . . 25.0 109.942 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.508 2.46 0 CA-C-O 124.966 2.317 . . . . 25.0 113.532 174.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 N--CA 1.517 2.876 0 N-CA-C 117.786 2.513 . . . . 25.0 117.786 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.8 t -83.16 123.71 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.605 -1.309 . . . . 25.0 111.178 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -82.86 125.2 31.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.735 0.778 . . . . 25.0 112.491 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.62 -162.87 0.91 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 -175.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -61.61 150.31 36.63 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 172.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -141.05 128.85 21.67 Favored 'General case' 0 C--O 1.198 -1.627 0 C-N-CA 123.59 0.756 . . . . 25.0 109.372 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.209 -1.056 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 -179.608 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -54.98 -37.37 66.46 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 116.593 -1.67 . . . . 25.0 111.766 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.504 HD12 HG12 ' A' ' 3' ' ' VAL . 1.8 tm? -66.01 -44.89 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 120.195 1.361 . . . . 25.0 108.456 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.26 -49.07 85.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.117 0.484 . . . . 25.0 109.741 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -43.04 98.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.404 -0.362 . . . . 25.0 110.712 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.65 92.48 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 121.59 -0.693 . . . . 25.0 109.324 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.44 -42.1 98.23 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.86 -42.56 97.51 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.235 -0.915 . . . . 25.0 110.711 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.36 -42.39 79.26 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -72.88 -33.15 42.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.407 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -77.02 -36.29 56.33 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 114.028 1.122 . . . . 25.0 114.028 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.17 -177.61 20.32 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 125.01 2.45 . . . . 25.0 114.622 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.52 -14.16 60.44 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 112.349 -1.926 . . . . 25.0 111.709 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -17.81 61.77 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 116.007 -0.542 . . . . 25.0 112.226 174.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.0 -163.57 24.83 Favored Glycine 0 C--O 1.202 -1.882 0 C-N-CA 117.66 -2.209 . . . . 25.0 114.841 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 C--O 1.186 -2.263 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 179.811 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.449 0 CA-C-O 124.473 2.152 . . . . 25.0 112.707 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.408 HG12 ' H ' ' A' ' 2' ' ' ILE . 0.8 OUTLIER -56.41 -46.97 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 113.841 -1.18 . . . . 25.0 113.299 -173.578 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -78.34 -28.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 118.543 -1.263 . . . . 25.0 110.852 -174.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.88 -39.34 83.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.961 -1.126 . . . . 25.0 107.961 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -72.61 -35.33 67.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.738 -0.602 . . . . 25.0 111.852 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.15 -45.79 31.82 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 114.299 1.222 . . . . 25.0 114.299 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.94 -17.67 62.06 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 115.766 1.765 . . . . 25.0 115.766 -169.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -79.57 -4.53 51.92 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 119.979 -0.688 . . . . 25.0 109.806 -174.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 t -150.78 -158.95 0.97 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 100.846 -3.761 . . . . 25.0 100.846 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -120.88 99.38 7.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 101.265 -3.606 . . . . 25.0 101.265 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.22 156.36 38.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.35 -0.841 . . . . 25.0 111.354 -174.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 p -103.67 157.91 16.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 122.648 1.213 . . . . 25.0 111.524 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.04 -35.22 79.53 Favored 'General case' 1 C--O 1.35 6.356 0 O-C-N 120.287 -1.508 . . . . 25.0 107.643 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -54.95 -43.76 73.7 Favored 'General case' 0 C--O 1.196 -1.755 0 C-N-CA 128.4 2.68 . . . . 25.0 111.331 171.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.46 -38.26 71.29 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 119.652 -1.905 . . . . 25.0 110.071 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.18 -26.09 68.14 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.52 -27.48 66.22 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 25.0 111.361 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.14 -16.75 63.72 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -93.3 -7.43 44.96 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.58 0.705 . . . . 25.0 110.014 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -87.53 -30.71 20.37 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.068 -2.197 . . . . 25.0 105.068 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.363 1.159 0 O-C-N 118.965 -2.335 . . . . 25.0 112.626 -169.126 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 . . . . . 0 C--O 1.209 -1.056 0 CA-C-O 126.634 3.111 . . . . 25.0 114.171 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.36 137.79 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 110.788 -2.914 . . . . 25.0 107.835 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -76.55 21.13 0.2 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -77.71 -176.89 4.57 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.137 -0.938 . . . . 25.0 109.406 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -70.31 -9.15 55.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.608 0.966 . . . . 25.0 113.608 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt 51.44 63.3 2.3 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.536 0.939 . . . . 25.0 113.536 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 C--O 1.274 2.352 0 N-CA-C 113.661 0.985 . . . . 25.0 113.661 179.414 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.206 0.817 . . . . 25.0 113.206 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -69.93 -31.08 68.65 Favored 'General case' 0 C--O 1.207 -1.164 0 O-C-N 121.59 -0.694 . . . . 25.0 109.72 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.09 -49.14 68.62 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.928 -1.878 . . . . 25.0 105.928 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 t -66.02 -37.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.027 -0.269 . . . . 25.0 110.768 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.95 -47.29 81.05 Favored 'General case' 0 CA--C 1.561 1.37 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.56 99.56 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 122.086 -0.384 . . . . 25.0 110.931 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -43.5 96.87 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 118.439 -0.791 . . . . 25.0 110.528 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -63.76 -42.14 97.86 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.44 -37.48 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.4 -28.28 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 122.638 1.209 . . . . 25.0 112.866 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.35 -39.38 25.17 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.074 -0.966 . . . . 25.0 112.105 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.45 -147.96 17.34 Favored Glycine 0 C--O 1.19 -2.601 0 CA-C-O 124.382 2.101 . . . . 25.0 111.176 -172.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.12 79.64 1.75 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.845 -1.678 . . . . 25.0 110.974 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 43.11 58.34 3.35 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 125.684 1.865 . . . . 25.0 113.27 172.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.42 24.99 9.91 Favored Glycine 0 C--O 1.196 -2.265 0 N-CA-C 110.278 -1.129 . . . . 25.0 110.278 172.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 p90 . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 -174.344 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.537 5.42 0 CA-C-O 123.711 1.728 . . . . 25.0 112.761 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.62 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 CA-C-N 113.95 -1.125 . . . . 25.0 111.447 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.72 -33.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 122.311 1.053 . . . . 25.0 113.119 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -38.78 92.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.439 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -83.96 -35.41 23.99 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.687 0.995 . . . . 25.0 113.687 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.4 -16.17 18.49 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 116.637 2.088 . . . . 25.0 116.637 -175.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.65 -0.93 57.2 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.464 -1.398 . . . . 25.0 108.365 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -117.97 160.78 20.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 51.22 -153.66 0.17 Allowed 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 123.932 0.893 . . . . 25.0 112.036 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.7 mm -110.34 117.31 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.55 113.08 3.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.754 -1.202 . . . . 25.0 107.754 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -104.39 154.69 19.53 Favored 'General case' 0 C--O 1.199 -1.605 0 CA-C-O 121.875 0.845 . . . . 25.0 112.292 -173.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.3 mt -58.27 -38.23 76.54 Favored 'General case' 1 C--O 1.308 4.135 0 O-C-N 119.414 -2.054 . . . . 25.0 111.897 -175.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.99 -42.31 97.23 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 123.374 1.559 . . . . 25.0 109.1 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -65.1 -47.37 77.47 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.339 -1.755 . . . . 25.0 108.62 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt -55.43 -40.12 71.1 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.933 0.77 . . . . 25.0 112.943 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -63.61 -25.11 68.08 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 117.674 -1.155 . . . . 25.0 112.728 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -70.65 -31.76 68.81 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 119.913 1.233 . . . . 25.0 108.123 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -78.64 -7.55 57.75 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 113.499 0.926 . . . . 25.0 113.499 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t -77.94 -19.22 54.99 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--O 1.207 -1.136 0 CA-C-O 125.366 2.508 . . . . 25.0 111.328 -175.686 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 CA--C 1.557 1.248 0 CA-C-O 125.653 2.644 . . . . 25.0 114.8 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -114.77 126.08 72.24 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.542 0 C-N-CA 128.335 2.654 . . . . 25.0 108.31 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.89 131.14 55.56 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -165.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 105.171 -2.159 . . . . 25.0 105.171 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -64.77 137.29 57.7 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 104.916 -2.253 . . . . 25.0 104.916 165.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.26 128.45 43.26 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.979 0.8 . . . . 25.0 112.152 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.185 0 O-C-N 124.391 1.057 . . . . 25.0 109.408 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.47 -41.67 98.94 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 120.868 -1.145 . . . . 25.0 113.067 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.25 -38.76 78.62 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 115.266 -0.879 . . . . 25.0 109.027 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.82 -43.9 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 119.808 -0.757 . . . . 25.0 110.481 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -40.55 95.07 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.111 -0.636 . . . . 25.0 111.91 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.87 95.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -42.27 95.56 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-N 118.038 0.381 . . . . 25.0 110.153 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.47 -42.39 96.15 Favored 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.08 -40.81 98.76 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 121.03 -1.044 . . . . 25.0 112.419 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.2 t -64.09 -43.68 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.871 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 -9.41 57.16 Favored 'General case' 0 C--O 1.27 2.143 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.52 -158.15 53.59 Favored Glycine 0 N--CA 1.429 -1.794 0 N-CA-C 109.297 -1.521 . . . . 25.0 109.297 -174.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.26 6.59 9.51 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.219 -1.166 . . . . 25.0 112.665 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -78.95 -26.99 43.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.405 0.548 . . . . 25.0 110.902 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 -176.04 51.47 Favored Glycine 0 N--CA 1.485 1.906 0 C-N-CA 120.047 -1.073 . . . . 25.0 114.622 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.1 p90 . . . . . 0 C--O 1.247 0.958 0 C-N-CA 124.413 1.085 . . . . 25.0 113.64 -173.474 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.288 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.426 ' H ' HG13 ' A' ' 2' ' ' ILE . 9.9 mt -60.03 -41.53 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.207 -1.172 . . . . 25.0 110.843 -172.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.5 t -61.43 -54.26 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-O 118.249 -0.881 . . . . 25.0 109.133 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.48 -44.12 95.32 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.944 0.777 . . . . 25.0 110.84 -173.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -67.9 -35.47 78.55 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 118.2 0.454 . . . . 25.0 112.159 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.5 m -81.72 -21.23 38.07 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.555 0.946 . . . . 25.0 113.555 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.7 m -82.61 -40.91 20.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 O-C-N 120.026 -1.671 . . . . 25.0 109.475 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -84.15 -16.06 44.87 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 120.689 -1.257 . . . . 25.0 112.219 -176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -147.9 162.68 38.8 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 119.307 0.958 . . . . 25.0 110.966 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.77 131.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.92 163.63 23.22 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 104.412 -2.44 . . . . 25.0 104.412 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.34 168.91 18.76 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.448 HD22 ' H ' ' A' ' 13' ' ' LEU . 3.0 mm? -59.93 -38.81 83.46 Favored 'General case' 1 C--O 1.323 4.934 0 CA-C-N 114.273 -1.331 . . . . 25.0 112.342 -169.569 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -52.13 -50.34 61.92 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 123.312 1.529 . . . . 25.0 111.329 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -68.72 -37.91 79.81 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 120.483 -1.385 . . . . 25.0 111.047 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.08 -35.71 69.71 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.51 -31.04 69.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.546 -0.752 . . . . 25.0 111.405 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -70.52 -9.06 55.74 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 120.448 -1.408 . . . . 25.0 114.439 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -100.09 8.06 44.2 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 123.45 0.7 . . . . 25.0 110.187 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -155.91 -139.51 0.08 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.15 -1.796 . . . . 25.0 106.15 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 123.25 1.5 . . . . 25.0 108.222 174.927 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.203 -1.389 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.79 143.87 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 121.869 0.842 . . . . 25.0 109.923 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -85.34 84.14 7.75 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.027 -1.046 . . . . 25.0 108.973 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -135.31 -179.96 5.95 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -70.04 154.01 42.48 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.73 112.97 18.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.241 0.646 0 CA-C-O 121.563 0.697 . . . . 25.0 111.501 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 107.009 -1.478 . . . . 25.0 107.009 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -34.04 77.0 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 124.315 1.009 . . . . 25.0 113.201 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -34.19 67.86 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.286 -1.746 . . . . 25.0 106.286 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.66 -43.77 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 121.808 0.814 . . . . 25.0 109.516 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -64.53 -37.27 86.98 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.558 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.34 92.83 Favored 'General case' 0 C--O 1.257 1.496 0 O-C-N 120.739 -1.226 . . . . 25.0 112.257 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.43 -45.0 92.79 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 124.805 1.316 . . . . 25.0 110.307 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -65.16 -35.91 82.59 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 121.551 -0.718 . . . . 25.0 112.846 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.79 -44.94 69.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -75.62 -30.51 21.86 Favored 'Isoleucine or valine' 0 C--O 1.258 1.55 0 CA-C-O 121.0 0.428 . . . . 25.0 111.807 -174.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.04 -36.12 28.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 118.749 -1.18 . . . . 25.0 112.327 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.04 -174.54 24.35 Favored Glycine 0 C--N 1.305 -1.141 0 CA-C-O 122.843 1.246 . . . . 25.0 112.308 -172.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.04 7.58 0.53 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 125.389 1.476 . . . . 25.0 114.06 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -75.3 -29.78 60.17 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 124.541 1.151 . . . . 25.0 109.789 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.35 170.79 47.54 Favored Glycine 0 C--O 1.205 -1.709 0 CA-C-O 117.708 -1.607 . . . . 25.0 114.446 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.201 -1.466 0 CA-C-N 118.487 1.144 . . . . 25.0 113.675 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.681 0 CA-C-O 126.513 3.285 . . . . 25.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.8 mt -51.24 -58.78 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.63 0 CA-C-N 112.355 -1.922 . . . . 25.0 113.482 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.57 -40.83 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 -172.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.92 -49.01 78.22 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 118.74 -0.648 . . . . 25.0 110.685 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.29 -34.4 77.31 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -76.5 -40.09 51.21 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 114.557 1.317 . . . . 25.0 114.557 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.34 -32.79 73.61 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.578 1.695 . . . . 25.0 115.578 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 t -82.45 142.61 31.77 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t 53.69 -175.84 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 124.598 2.142 . . . . 25.0 113.905 -167.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -78.22 123.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 114.365 -1.289 . . . . 25.0 107.818 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.57 160.95 14.11 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.578 0.751 . . . . 25.0 112.197 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.9 p -148.46 157.83 43.72 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.229 0.538 . . . . 25.0 110.75 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.02 -33.14 70.4 Favored 'General case' 1 C--O 1.312 4.372 0 CA-C-O 124.496 2.093 . . . . 25.0 109.364 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -60.7 -36.6 79.19 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 117.046 -3.534 . . . . 25.0 113.826 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -76.54 -37.28 56.88 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 119.448 -2.032 . . . . 25.0 111.418 174.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.78 -35.85 77.49 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.049 0.389 . . . . 25.0 112.049 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.02 -22.15 62.25 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 116.629 2.085 . . . . 25.0 116.629 171.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.85 -11.97 60.8 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.533 -0.867 . . . . 25.0 112.309 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -98.18 3.48 49.02 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 121.438 -0.789 . . . . 25.0 111.114 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.7 m -104.65 177.28 4.89 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.0 t30 . . . . . 0 C--O 1.204 -1.322 0 O-C-N 119.5 -2.0 . . . . 25.0 115.811 173.463 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 116.158 1.911 . . . . 25.0 116.158 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 p -132.07 146.77 32.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 N-CA-C 105.271 -2.122 . . . . 25.0 105.271 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -91.34 74.97 6.09 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 107.602 -1.258 . . . . 25.0 107.602 -176.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.08 -163.34 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 25.0 111.204 -170.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.56 82.62 1.11 Allowed 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.65 122.94 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 106.044 -1.835 . . . . 25.0 106.044 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.255 1.365 0 N-CA-C 114.371 1.249 . . . . 25.0 114.371 -177.365 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 122.294 1.045 . . . . 25.0 110.077 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -63.52 -31.81 73.08 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 120.343 -1.473 . . . . 25.0 113.758 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.25 -44.12 84.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.694 -0.802 . . . . 25.0 110.406 171.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.0 -46.41 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.76 -44.69 90.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.633 -1.167 . . . . 25.0 112.061 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -34.56 62.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.564 -0.71 . . . . 25.0 110.947 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.04 -44.99 87.27 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 118.22 -1.392 . . . . 25.0 112.039 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -58.8 -41.62 87.16 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 121.385 0.612 . . . . 25.0 110.63 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.43 -50.65 71.97 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.094 -0.957 . . . . 25.0 113.182 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.49 -29.77 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 119.424 1.011 . . . . 25.0 112.327 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -40.72 47.27 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.306 -0.871 . . . . 25.0 109.789 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.85 -171.83 21.21 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 114.884 -1.053 . . . . 25.0 114.899 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -16.88 63.94 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.157 -1.79 . . . . 25.0 113.061 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -13.41 40.99 Favored 'General case' 0 C--O 1.2 -1.54 0 N-CA-C 114.698 1.37 . . . . 25.0 114.698 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.21 -172.13 50.34 Favored Glycine 0 CA--C 1.499 -0.965 0 C-N-CA 120.334 -0.936 . . . . 25.0 115.347 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.2 p90 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 -176.502 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 CA-C-O 125.672 2.818 . . . . 25.0 112.575 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.89 -35.92 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 CA-C-N 110.835 -2.682 . . . . 25.0 110.32 -175.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.18 -45.36 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 O-C-N 120.309 -1.495 . . . . 25.0 109.68 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -71.7 -41.67 68.32 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.59 -0.694 . . . . 25.0 111.287 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -62.1 -41.94 98.72 Favored 'General case' 0 CA--C 1.578 2.049 0 N-CA-C 114.899 1.444 . . . . 25.0 114.899 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.02 -7.09 10.9 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.459 2.022 . . . . 25.0 116.459 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.86 -29.53 50.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.222 -2.174 . . . . 25.0 109.069 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -104.28 -4.11 23.39 Favored 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -135.0 162.27 32.91 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.269 -0.895 . . . . 25.0 110.5 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mm -73.14 128.12 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 119.405 -0.331 . . . . 25.0 110.269 172.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m -127.55 151.98 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 m -115.6 170.97 8.03 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.54 -35.21 62.97 Favored 'General case' 1 C--O 1.312 4.387 0 C-N-CA 124.061 0.945 . . . . 25.0 111.306 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -61.12 -37.62 83.43 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 117.018 -3.551 . . . . 25.0 114.212 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -75.42 -37.65 60.31 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 114.981 -1.009 . . . . 25.0 110.128 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.76 -24.77 67.66 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 117.799 -1.56 . . . . 25.0 113.081 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.11 -28.64 62.86 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 121.728 -0.607 . . . . 25.0 111.339 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -66.13 -15.96 63.55 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.636 -0.665 . . . . 25.0 111.213 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -106.62 8.48 31.2 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.587 0.708 . . . . 25.0 109.507 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.9 m -107.54 -174.14 2.46 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 102.005 -3.331 . . . . 25.0 102.005 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 . . . . . 0 C--N 1.355 0.843 0 CA-C-O 127.871 3.7 . . . . 25.0 111.32 174.879 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 122.94 1.352 . . . . 25.0 112.598 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.94 126.06 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 113.926 -1.488 . . . . 25.0 108.858 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -73.97 128.77 36.39 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.301 -0.874 . . . . 25.0 112.139 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -156.31 -173.19 4.39 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.42 149.92 47.82 Favored 'General case' 0 C--O 1.194 -1.844 0 N-CA-C 106.887 -1.523 . . . . 25.0 106.887 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -129.26 105.88 8.44 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 122.807 0.443 . . . . 25.0 110.383 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 178.328 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 CA--C 1.553 1.075 0 N-CA-C 113.841 1.052 . . . . 25.0 113.841 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.53 -39.4 94.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.201 1.001 . . . . 25.0 109.141 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.2 -47.16 80.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.757 -1.111 . . . . 25.0 108.724 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.6 -47.63 92.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.19 -41.44 90.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.974 0.91 . . . . 25.0 112.678 -177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.05 90.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.437 1.017 . . . . 25.0 109.578 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.15 -43.68 86.29 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.44 -42.68 99.63 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.848 0.718 . . . . 25.0 110.11 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.39 -41.32 98.57 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.912 -0.492 . . . . 25.0 112.204 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.31 -29.04 15.01 Favored 'Isoleucine or valine' 0 C--O 1.251 1.134 0 O-C-N 121.337 -0.852 . . . . 25.0 111.147 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -20.01 56.42 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 176.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.81 -171.7 54.63 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 107.989 -2.044 . . . . 25.0 107.989 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.36 -6.13 22.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.61 -0.795 . . . . 25.0 110.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -21.06 64.32 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 123.259 0.35 . . . . 25.0 111.122 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.13 -179.97 53.33 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 111.334 -0.706 . . . . 25.0 111.334 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.0 p90 . . . . . 0 C--O 1.215 -0.748 0 CA-C-N 114.583 -0.808 . . . . 25.0 109.69 178.322 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.517 4.082 0 CA-C-O 125.113 2.507 . . . . 25.0 113.687 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.69 -50.37 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.99 0 O-C-N 120.816 -1.402 . . . . 25.0 110.678 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -72.03 -33.15 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.59 0 C-N-CA 118.382 -1.327 . . . . 25.0 110.512 -174.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.13 -35.99 81.96 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.221 1.01 . . . . 25.0 109.926 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -76.12 -47.63 23.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.574 -0.739 . . . . 25.0 111.315 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -109.64 -26.77 9.72 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 118.663 2.838 . . . . 25.0 118.663 -166.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.3 m -91.83 -18.58 23.61 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 119.957 -1.714 . . . . 25.0 112.918 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -116.77 -8.05 11.43 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.901 1.334 . . . . 25.0 110.221 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.9 m -136.12 -176.94 4.48 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -106.19 135.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 174.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.41 170.17 15.88 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m -129.65 168.79 15.93 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mp -58.83 -30.28 67.53 Favored 'General case' 1 C--O 1.359 6.852 0 C-N-CA 128.288 2.635 . . . . 25.0 110.706 -171.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -58.61 -51.37 70.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 118.643 -2.536 . . . . 25.0 110.96 174.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -66.78 -36.35 82.21 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.829 -0.623 . . . . 25.0 109.321 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.39 -28.81 70.04 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.51 0.93 . . . . 25.0 113.51 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.68 -24.41 63.91 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.11 -22.57 64.88 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.89 -0.724 . . . . 25.0 111.986 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -87.23 0.41 55.4 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 123.298 1.523 . . . . 25.0 109.466 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -96.21 -176.87 3.79 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 t30 . . . . . 0 C--O 1.183 -2.413 0 CA-C-O 126.828 3.204 . . . . 25.0 109.075 168.565 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 125.77 2.7 . . . . 25.0 114.785 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.59 161.83 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 105.252 -2.129 . . . . 25.0 105.252 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -75.88 10.45 1.84 Allowed 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.85 179.32 4.94 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -56.79 132.48 52.4 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.713 -1.242 . . . . 25.0 108.3 170.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.45 105.77 11.96 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.308 -1.207 0 N-CA-C 103.89 -2.633 . . . . 25.0 103.89 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 CA--C 1.565 1.529 0 CA-C-O 120.902 0.382 . . . . 25.0 111.64 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -60.05 -43.4 95.41 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.043 0.925 . . . . 25.0 111.642 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -48.26 74.13 Favored 'General case' 0 C--O 1.204 -1.298 0 O-C-N 120.977 -1.077 . . . . 25.0 109.193 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.18 -39.59 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 125.248 1.592 . . . . 25.0 110.052 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.62 -41.4 72.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 25.0 111.359 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.13 86.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.285 -0.87 . . . . 25.0 112.295 174.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.427 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 6.5 mt -66.91 -43.01 84.49 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.691 -1.14 . . . . 25.0 109.452 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -58.25 -38.93 77.88 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 119.421 -0.323 . . . . 25.0 110.588 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.95 -35.73 69.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.947 -1.095 . . . . 25.0 113.664 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 m -81.34 -21.62 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 124.198 0.937 . . . . 25.0 112.52 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.61 -41.32 8.97 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 118.711 -0.661 . . . . 25.0 112.158 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.65 -177.19 21.17 Favored Glycine 0 C--O 1.255 1.409 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -60.74 -26.71 67.39 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.099 -1.236 . . . . 25.0 112.534 -173.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -13.36 28.69 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.44 -164.47 49.31 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 119.686 -1.245 . . . . 25.0 111.894 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 49.5 p90 . . . . . 0 CA--C 1.563 1.463 0 C-N-CA 125.696 1.599 . . . . 25.0 107.729 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.183 -3.045 0 N-CA-C 116.796 1.479 . . . . 25.0 116.796 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.14 -63.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.87 -29.34 33.19 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.091 0 C-N-CA 119.615 -0.834 . . . . 25.0 113.07 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -60.42 -36.99 79.47 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.798 -1.556 . . . . 25.0 106.798 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -78.97 -57.33 3.8 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.41 -13.15 60.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.724 3.231 . . . . 25.0 119.724 -172.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.3 -24.75 46.55 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.376 -0.93 . . . . 25.0 109.627 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -107.93 -29.49 9.0 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.48 0.582 . . . . 25.0 110.388 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -110.72 -179.86 3.87 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.45 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.1 mm -101.17 127.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.263 1.782 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.98 132.45 56.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.838 -0.539 . . . . 25.0 111.409 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -92.94 159.91 15.13 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.66 -26.76 68.81 Favored 'General case' 1 C--O 1.346 6.177 0 O-C-N 120.554 -1.341 . . . . 25.0 110.136 174.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.42 -40.01 77.4 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 116.504 -3.873 . . . . 25.0 111.152 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.95 -38.87 52.46 Favored 'General case' 0 C--N 1.377 1.761 0 O-C-N 118.688 -2.508 . . . . 25.0 109.428 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.72 -29.82 68.39 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.11 0.782 . . . . 25.0 113.11 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.42 -31.5 67.78 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 124.933 1.396 . . . . 25.0 112.288 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -64.86 -26.95 68.55 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.782 -1.199 . . . . 25.0 112.611 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -76.21 -11.99 60.02 Favored 'General case' 0 C--O 1.204 -1.292 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.921 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -15.05 14.77 Favored 'General case' 0 C--O 1.199 -1.6 0 CA-C-O 121.59 0.71 . . . . 25.0 111.641 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 N--CA 1.507 2.409 0 CA-C-O 123.47 1.605 . . . . 25.0 114.781 -176.522 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.673 1.702 . . . . 25.0 115.298 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -83.12 129.03 38.15 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -123.21 -171.84 2.38 Favored 'General case' 0 CA--C 1.488 -1.423 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.0 -153.8 0.49 Allowed 'General case' 0 C--O 1.262 1.728 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 170.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -73.35 145.23 46.1 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.66 124.64 34.14 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 107.421 -1.325 . . . . 25.0 107.421 -173.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.49 -1.341 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -175.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 115.436 1.643 . . . . 25.0 115.436 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.0 -30.3 65.97 Favored 'General case' 0 C--O 1.194 -1.828 0 CA-C-N 114.44 -1.254 . . . . 25.0 110.54 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.5 -41.87 65.45 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.185 -1.413 . . . . 25.0 107.185 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.51 -43.25 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.272 0.558 . . . . 25.0 109.578 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.07 -38.74 92.39 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 121.68 0.752 . . . . 25.0 109.979 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.56 86.62 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 121.118 -0.989 . . . . 25.0 111.04 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.63 -40.64 80.21 Favored 'General case' 0 C--O 1.201 -1.454 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.95 -47.97 83.18 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 118.157 -0.925 . . . . 25.0 111.768 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.33 -38.78 90.79 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 114.503 1.297 . . . . 25.0 114.503 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -81.6 -26.86 9.97 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 O-C-N 121.37 -0.831 . . . . 25.0 112.071 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.49 -24.83 17.86 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 -161.66 36.4 Favored Glycine 0 C--N 1.363 2.057 0 N-CA-C 110.219 -1.152 . . . . 25.0 110.219 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -91.89 25.61 2.72 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.126 1.899 . . . . 25.0 116.126 -175.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.64 -8.7 58.78 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 113.488 0.921 . . . . 25.0 113.488 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 161.21 36.92 Favored Glycine 0 C--O 1.25 1.119 0 C-N-CA 119.782 -1.199 . . . . 25.0 115.1 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 CA--C 1.507 -0.702 0 C-N-CA 123.263 0.625 . . . . 25.0 109.621 175.519 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.188 -2.737 0 CA-C-O 125.3 2.611 . . . . 25.0 115.258 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -54.53 -47.91 70.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 O-C-N 119.583 -2.128 . . . . 25.0 112.815 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -83.05 -18.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 117.481 -1.247 . . . . 25.0 111.706 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.73 -31.2 70.1 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 124.907 1.38 . . . . 25.0 108.659 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.65 -27.93 14.57 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -115.59 -4.46 12.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 121.274 3.805 . . . . 25.0 121.274 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.54 -16.05 58.89 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 123.301 1.524 . . . . 25.0 107.458 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -120.4 161.86 20.48 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 102.233 -3.247 . . . . 25.0 102.233 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 m 61.73 -160.63 0.3 Allowed 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 123.803 0.841 . . . . 25.0 110.603 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mm -127.54 120.05 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.5 156.81 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.902 -0.59 . . . . 25.0 109.497 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.4 m -135.0 175.95 9.11 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 105.66 -1.978 . . . . 25.0 105.66 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.98 -26.75 38.88 Favored 'General case' 1 C--O 1.351 6.441 0 C-N-CA 127.378 2.271 . . . . 25.0 111.608 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -53.34 -51.49 62.24 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 117.478 -3.264 . . . . 25.0 111.811 169.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -77.29 -33.29 55.75 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.477 -1.389 . . . . 25.0 111.252 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.66 -31.65 70.87 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 123.204 0.315 . . . . 25.0 111.396 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.46 -28.65 60.19 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -68.63 -16.86 63.98 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 116.283 -0.417 . . . . 25.0 111.799 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -94.25 5.06 52.93 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.988 0.915 . . . . 25.0 111.151 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.0 m -80.08 4.13 18.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.478 1.132 . . . . 25.0 110.109 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 . . . . . 0 CA--C 1.563 1.446 0 CA-C-O 126.751 3.167 . . . . 25.0 109.508 174.862 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.206 -1.214 0 CA-C-O 124.91 2.29 . . . . 25.0 116.302 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 t -121.87 127.26 75.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 113.747 -1.569 . . . . 25.0 110.098 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -67.25 97.35 0.54 Allowed 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.04 -176.69 6.12 Favored 'General case' 0 CA--C 1.57 1.713 0 O-C-N 124.471 1.107 . . . . 25.0 110.324 -176.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.67 78.55 6.23 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.497 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.96 112.26 1.6 Allowed 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.278 0.631 . . . . 25.0 112.484 -174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-N 114.792 -1.094 . . . . 25.0 109.69 178.703 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.89 0.852 . . . . 25.0 113.266 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -67.03 -41.68 86.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.728 -0.789 . . . . 25.0 110.554 -174.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.61 -44.02 91.91 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 115.137 -0.938 . . . . 25.0 110.342 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.13 -46.54 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -64.57 -44.07 91.88 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.056 0.455 . . . . 25.0 111.421 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.97 83.18 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-O 121.582 0.706 . . . . 25.0 111.954 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.9 -44.88 94.0 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.8 -41.71 91.81 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 118.403 0.547 . . . . 25.0 110.561 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.55 -46.87 77.84 Favored 'General case' 0 C--O 1.247 0.964 0 C-N-CA 120.466 -0.494 . . . . 25.0 111.052 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.82 -36.98 34.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 C-N-CA 119.284 -0.967 . . . . 25.0 112.093 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -21.42 51.86 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 122.274 1.035 . . . . 25.0 113.044 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.35 176.27 50.52 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 122.228 0.905 . . . . 25.0 111.955 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.88 7.89 1.04 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 118.777 -0.63 . . . . 25.0 111.836 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -67.32 -32.22 73.04 Favored 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 106.12 -1.808 . . . . 25.0 106.12 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.86 148.49 9.8 Favored Glycine 0 C--O 1.202 -1.862 0 N-CA-C 117.019 1.568 . . . . 25.0 117.019 172.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 26.7 p90 . . . . . 0 C--O 1.199 -1.582 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 176.737 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.626 0 CA-C-O 124.407 2.115 . . . . 25.0 115.531 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 2' ' ' ILE . 14.8 mt -60.7 -38.07 77.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 113.801 -1.2 . . . . 25.0 109.485 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.68 -33.03 43.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.48 -0.888 . . . . 25.0 111.001 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.61 -39.46 93.76 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.49 -0.756 . . . . 25.0 108.967 173.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.11 -34.75 79.13 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 122.027 0.917 . . . . 25.0 111.94 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -42.31 83.7 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.235 -0.915 . . . . 25.0 111.221 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.09 -26.62 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 115.085 1.513 . . . . 25.0 115.085 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -89.37 -10.13 47.76 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.512 -0.742 . . . . 25.0 111.584 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -122.03 -161.73 0.95 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.02 120.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HB2' HD12 ' B' ' 6' ' ' LEU . 72.1 m -74.47 155.76 37.66 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.331 -0.856 . . . . 25.0 111.412 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 m -137.42 157.92 45.53 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 13' ' ' LEU . 6.3 mp -52.84 -38.58 61.62 Favored 'General case' 1 C--O 1.335 5.556 0 C-N-CA 124.396 1.078 . . . . 25.0 112.329 -171.444 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.76 -44.24 96.71 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 118.091 -2.881 . . . . 25.0 114.983 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -70.11 -38.22 75.55 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.933 -1.73 . . . . 25.0 108.296 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB3' HG11 ' B' ' 18' ' ' VAL . 16.0 mt -55.92 -35.1 66.24 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.064 0.852 . . . . 25.0 112.546 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.89 -29.53 20.25 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.037 1.125 . . . . 25.0 114.037 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -64.57 -21.42 66.69 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.312 0.506 . . . . 25.0 112.294 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.11 -6.66 50.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.011 -0.366 . . . . 25.0 110.011 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.62 -5.51 45.56 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 107.91 -1.144 . . . . 25.0 107.91 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.1 t30 . . . . . 0 C--O 1.2 -1.524 0 CA-C-O 123.659 1.695 . . . . 25.0 111.749 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 122.81 1.29 . . . . 25.0 114.349 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.1 t -111.2 130.59 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 104.884 -2.265 . . . . 25.0 104.884 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -133.35 -155.34 0.67 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.374 -1.713 . . . . 25.0 106.374 -173.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.66 -166.69 1.31 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -64.33 131.83 48.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 11' ' ' CYS . 39.4 mt -115.82 108.84 16.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.155 0.502 . . . . 25.0 111.7 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.893 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 C--O 1.235 0.327 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -68.48 -39.54 81.33 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.267 -0.895 . . . . 25.0 111.583 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.55 -39.5 88.58 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.45 -40.4 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.264 0.554 . . . . 25.0 110.289 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -61.8 -43.45 98.83 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.76 -0.587 . . . . 25.0 111.029 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.156 -0.34 . . . . 25.0 111.231 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.65 -44.37 94.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.257 1.027 . . . . 25.0 110.672 173.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -63.01 -41.4 99.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.919 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -63.98 -41.6 97.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.411 HG11 ' HB3' ' A' ' 16' ' ' LEU . 4.9 p -72.87 -29.0 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 121.145 -0.972 . . . . 25.0 111.293 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -35.0 36.85 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 174.68 17.46 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 111.357 -0.697 . . . . 25.0 111.357 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.63 -18.08 61.58 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -9.96 59.72 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 121.347 -0.846 . . . . 25.0 112.236 177.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.2 -178.83 49.46 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-O 119.009 -0.884 . . . . 25.0 111.428 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.211 -0.949 0 CA-C-O 122.08 0.943 . . . . 25.0 109.676 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.437 ' HA2' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 1 N--CA 1.519 4.211 0 CA-C-O 123.267 1.481 . . . . 25.0 114.708 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.79 -41.27 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 113.671 -1.264 . . . . 25.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.35 -32.83 54.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' OE1' ' HA2' ' A' ' 1' ' ' GLY . 36.9 mt-10 -66.65 -45.51 78.76 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -66.67 -46.11 76.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -29.29 67.22 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.183 1.549 . . . . 25.0 115.183 -174.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.24 -13.06 61.43 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 118.13 -0.938 . . . . 25.0 110.807 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -123.46 -22.27 5.09 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.532 0.605 . . . . 25.0 110.697 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -122.44 165.87 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.192 -0.603 . . . . 25.0 109.605 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -79.46 131.61 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -96.22 152.24 18.75 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.371 1.045 . . . . 25.0 108.495 171.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -140.07 160.0 40.91 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 105.131 -2.174 . . . . 25.0 105.131 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.01 -32.81 68.29 Favored 'General case' 1 C--O 1.328 5.208 0 C-N-CA 117.884 -1.526 . . . . 25.0 111.276 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.53 -44.78 95.71 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.682 -2.511 . . . . 25.0 112.229 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.98 -45.89 91.64 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 123.903 0.752 . . . . 25.0 112.517 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.26 -29.66 68.94 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 114.597 1.332 . . . . 25.0 114.597 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.14 -19.56 64.82 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 120.798 -1.189 . . . . 25.0 113.352 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -98.5 -1.46 41.15 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.85 -17.41 41.02 Favored 'General case' 0 C--O 1.184 -2.373 0 CA-C-O 122.608 1.194 . . . . 25.0 109.468 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 C--O 1.208 -1.12 0 C-N-CA 126.787 2.035 . . . . 25.0 116.493 -176.16 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 123.847 1.784 . . . . 25.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.52 119.2 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 O-C-N 118.685 -2.509 . . . . 25.0 109.979 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -80.97 128.73 34.02 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -156.54 -155.77 0.56 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -81.08 76.59 8.02 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.522 1.153 . . . . 25.0 108.643 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.81 66.67 4.35 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.6 -1.636 . . . . 25.0 110.487 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.26 1.617 0 CA-C-N 113.808 -1.542 . . . . 25.0 109.839 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 121.273 0.558 . . . . 25.0 111.804 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -58.19 -28.35 64.7 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.391 -0.814 . . . . 25.0 111.309 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.4 -47.42 86.16 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 118.372 0.533 . . . . 25.0 111.46 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.8 -43.49 93.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.629 -1.169 . . . . 25.0 108.363 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.72 -45.42 89.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -36.1 80.13 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -70.02 -41.46 74.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.396 1.093 . . . . 25.0 111.898 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.67 -38.18 89.35 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 120.631 -1.293 . . . . 25.0 111.668 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.55 -50.34 65.55 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 121.897 -0.502 . . . . 25.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.06 -35.87 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 117.929 -1.508 . . . . 25.0 112.923 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.24 -18.21 34.68 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 167.66 42.8 Favored Glycine 0 C--O 1.202 -1.879 0 O-C-N 120.155 -1.591 . . . . 25.0 111.644 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -68.76 -16.44 63.8 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-O 121.119 0.485 . . . . 25.0 111.347 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.55 16.67 25.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 178.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.39 -151.31 3.7 Favored Glycine 0 N--CA 1.48 1.568 0 N-CA-C 116.28 1.272 . . . . 25.0 116.28 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.563 1.445 0 CA-C-O 121.007 0.432 . . . . 25.0 111.012 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.12 0 CA-C-O 123.161 1.423 . . . . 25.0 116.351 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -52.63 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 114.641 -0.78 . . . . 25.0 110.464 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.24 -33.56 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.411 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.49 -38.08 89.77 Favored 'General case' 0 C--O 1.245 0.866 0 O-C-N 124.076 0.86 . . . . 25.0 110.451 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.62 -46.48 31.38 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 118.366 -0.826 . . . . 25.0 112.941 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.54 -16.14 27.65 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 116.916 2.191 . . . . 25.0 116.916 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -87.1 -13.68 43.52 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-N 119.074 0.852 . . . . 25.0 110.589 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -102.94 152.15 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 106.212 -1.773 . . . . 25.0 106.212 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m 47.94 -155.98 0.06 Allowed 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.412 1.07 . . . . 25.0 110.486 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -126.95 111.26 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 118.726 -0.654 . . . . 25.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.02 161.86 15.64 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-O 122.629 1.204 . . . . 25.0 110.311 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -104.2 158.19 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.868 1.433 . . . . 25.0 114.868 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.37 -28.43 69.76 Favored 'General case' 1 C--O 1.371 7.49 0 O-C-N 118.586 -2.571 . . . . 25.0 111.191 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -59.36 -41.77 90.03 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 116.239 -4.038 . . . . 25.0 110.124 174.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -70.28 -41.96 72.71 Favored 'General case' 0 C--O 1.196 -1.759 0 CA-C-N 114.64 -1.164 . . . . 25.0 109.106 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.69 -38.06 69.17 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 118.513 0.597 . . . . 25.0 110.849 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.12 -16.03 49.6 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 115.519 1.674 . . . . 25.0 115.519 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -70.21 -25.46 63.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 118.497 -0.764 . . . . 25.0 111.686 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -84.92 9.29 14.81 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 124.904 1.377 . . . . 25.0 109.182 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -141.36 -171.11 3.22 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 121.418 -0.801 . . . . 25.0 111.117 -176.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 . . . . . 0 C--N 1.352 0.693 0 CA-C-O 125.643 2.64 . . . . 25.0 110.022 171.765 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 N--CA 1.506 2.326 0 N-CA-C 115.685 1.735 . . . . 25.0 115.685 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.0 118.55 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -77.23 160.89 28.58 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.606 -0.684 . . . . 25.0 111.802 -172.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -174.68 3.2 Favored 'General case' 0 C--O 1.205 -1.277 0 N-CA-C 105.024 -2.213 . . . . 25.0 105.024 169.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -58.35 146.03 36.01 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 119.277 -0.969 . . . . 25.0 108.653 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.39 131.29 12.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.219 0.533 . . . . 25.0 109.891 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.313 -0.988 0 N-CA-C 107.088 -1.449 . . . . 25.0 107.088 -173.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 113.964 1.098 . . . . 25.0 113.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -57.04 -36.54 70.61 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.192 -0.943 . . . . 25.0 111.954 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -40.1 94.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 118.349 0.522 . . . . 25.0 111.029 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.21 -38.63 62.87 Favored 'Isoleucine or valine' 0 C--O 1.264 1.833 0 N-CA-C 107.466 -1.309 . . . . 25.0 107.466 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.62 -44.7 89.71 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.405 0.441 . . . . 25.0 109.821 177.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.61 96.87 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -45.98 90.48 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 118.608 0.64 . . . . 25.0 111.699 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -58.51 -46.1 87.44 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.723 -0.611 . . . . 25.0 112.399 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.28 -46.98 75.13 Favored 'General case' 0 CA--C 1.521 -0.155 0 O-C-N 123.86 0.725 . . . . 25.0 110.685 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.16 -31.66 45.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-O 121.41 0.624 . . . . 25.0 112.539 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.84 -35.84 14.56 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 120.89 -1.132 . . . . 25.0 113.828 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.59 -174.08 34.47 Favored Glycine 0 N--CA 1.428 -1.857 0 CA-C-O 122.524 1.069 . . . . 25.0 112.102 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -70.97 -0.18 8.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.519 1.303 . . . . 25.0 114.519 -168.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -33.99 77.15 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.9 160.77 36.84 Favored Glycine 0 C--O 1.193 -2.453 0 C-N-CA 120.376 -0.916 . . . . 25.0 114.116 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 p90 . . . . . 0 CA--C 1.569 1.7 0 C-N-CA 124.815 1.246 . . . . 25.0 110.272 -176.21 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.568 0 CA-C-O 125.206 2.559 . . . . 25.0 116.457 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 mt -63.38 -32.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 119.483 -2.186 . . . . 25.0 108.464 172.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.53 -36.87 76.02 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.983 0 O-C-N 121.095 -1.003 . . . . 25.0 111.005 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.64 -38.69 73.9 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -62.18 -37.67 86.16 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-O 121.75 0.786 . . . . 25.0 110.727 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.47 -41.87 72.18 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.663 -0.699 . . . . 25.0 109.675 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.1 -32.4 73.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 119.476 -0.89 . . . . 25.0 111.396 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -75.61 -7.46 54.31 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.23 -1.544 . . . . 25.0 109.028 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -116.79 -161.54 0.81 Allowed 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 172.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.2 mm -113.21 116.91 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.19 142.19 38.12 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.361 1.077 . . . . 25.0 109.53 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 m -119.9 159.28 24.97 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.184 -0.948 . . . . 25.0 109.182 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.99 -40.56 85.24 Favored 'General case' 1 C--O 1.334 5.514 0 C-N-CA 123.812 0.845 . . . . 25.0 111.984 -175.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -56.1 -40.33 73.51 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.826 -2.421 . . . . 25.0 112.551 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.3 -44.48 62.67 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.15 -30.84 66.67 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 113.801 -1.545 . . . . 25.0 111.141 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.43 -29.45 67.77 Favored 'General case' 0 C--O 1.193 -1.896 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.65 -19.2 62.82 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 119.519 -0.872 . . . . 25.0 111.124 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -79.43 -15.57 57.6 Favored 'General case' 0 C--O 1.206 -1.215 0 C-N-CA 118.869 -1.132 . . . . 25.0 111.06 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.51 154.88 22.43 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 122.042 0.925 . . . . 25.0 108.57 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 C--O 1.197 -1.675 0 CA-C-O 125.817 2.722 . . . . 25.0 110.686 178.351 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 124.041 1.877 . . . . 25.0 113.819 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.426 HG12 ' H ' ' B' ' 4' ' ' GLN . 64.3 t -104.81 123.23 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 114.208 -1.36 . . . . 25.0 108.657 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -78.72 0.46 26.64 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 116.797 2.147 . . . . 25.0 116.797 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.426 ' H ' HG12 ' B' ' 2' ' ' VAL . 7.5 mp0 -76.49 -172.39 2.15 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.381 -1.34 . . . . 25.0 107.381 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -66.98 119.09 11.38 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.381 1.086 . . . . 25.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -84.19 125.08 31.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.437 -1.32 . . . . 25.0 107.437 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.736 0 N-CA-C 102.231 -3.248 . . . . 25.0 102.231 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.502 2.133 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -61.49 -43.43 98.88 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.285 -0.884 . . . . 25.0 112.013 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.63 -45.36 87.17 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.465 -1.243 . . . . 25.0 108.876 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.63 -44.74 79.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 -173.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -60.86 -46.78 89.23 Favored 'General case' 0 C--N 1.311 -1.099 0 O-C-N 121.815 -0.553 . . . . 25.0 111.298 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.48 88.99 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 122.029 -0.419 . . . . 25.0 111.823 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.28 -47.31 82.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.227 -0.897 . . . . 25.0 109.717 174.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.3 -35.8 80.2 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.979 -1.076 . . . . 25.0 110.502 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.79 -49.54 77.07 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.229 0.33 . . . . 25.0 110.847 174.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.56 -25.26 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 25.0 112.56 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -86.69 -29.79 22.19 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.014 -1.054 . . . . 25.0 112.914 177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 176.08 31.11 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 120.695 -1.253 . . . . 25.0 111.758 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.7 -16.91 62.3 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.209 -0.996 . . . . 25.0 113.542 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -20.71 66.19 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 124.205 0.941 . . . . 25.0 112.139 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 165.43 39.29 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-O 118.502 -1.166 . . . . 25.0 111.442 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.208 -1.095 0 O-C-N 124.415 0.715 . . . . 25.0 111.037 -177.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.589 0 CA-C-O 126.233 3.13 . . . . 25.0 116.386 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.18 -42.2 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 112.023 -2.088 . . . . 25.0 109.162 -177.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 p -64.07 -38.3 82.07 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.967 0 N-CA-C 108.199 -1.037 . . . . 25.0 108.199 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.83 -50.11 74.74 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 123.179 0.299 . . . . 25.0 110.915 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -69.66 -40.41 76.47 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.86 -27.15 14.42 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 119.299 3.074 . . . . 25.0 119.299 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.1 -29.69 70.06 Favored 'General case' 0 C--O 1.254 1.325 0 O-C-N 120.353 -1.467 . . . . 25.0 109.459 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -85.21 -0.84 55.91 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 122.822 1.296 . . . . 25.0 111.07 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -136.66 -162.6 1.3 Allowed 'General case' 0 C--O 1.247 0.948 0 N-CA-C 106.835 -1.543 . . . . 25.0 106.835 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -108.31 -37.58 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 121.831 0.824 . . . . 25.0 112.928 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 m 56.87 -159.94 0.23 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.932 0.893 . . . . 25.0 112.898 -176.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.9 p -155.94 160.33 40.01 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 123.149 1.452 . . . . 25.0 109.101 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.57 -28.29 69.24 Favored 'General case' 1 C--O 1.338 5.754 0 O-C-N 120.687 -1.258 . . . . 25.0 107.981 172.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.0 -41.09 91.5 Favored 'General case' 0 C--O 1.209 -1.071 1 O-C-N 114.914 -4.866 . . . . 25.0 112.892 175.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.96 -43.09 75.71 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 120.286 -1.509 . . . . 25.0 109.081 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -58.41 -33.84 70.11 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.838 0.711 . . . . 25.0 112.151 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.25 -17.83 13.47 Favored 'General case' 0 C--O 1.199 -1.587 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.59 -19.78 62.09 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.276 -0.869 . . . . 25.0 111.472 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.05 -9.43 48.54 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 119.417 1.008 . . . . 25.0 108.824 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -88.44 131.88 34.7 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 124.628 1.205 . . . . 25.0 113.946 -175.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--N 1.295 -1.779 0 CA-C-O 123.753 1.739 . . . . 25.0 112.109 176.685 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.517 2.923 0 CA-C-O 122.34 1.067 . . . . 25.0 112.57 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.82 140.52 36.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-N 115.199 -0.91 . . . . 25.0 110.207 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.17 124.9 38.48 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.764 0.792 . . . . 25.0 109.306 -175.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -133.27 -171.11 2.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 102.284 -3.228 . . . . 25.0 102.284 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -58.42 145.48 38.38 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.7 mt -116.5 100.56 7.94 Favored 'General case' 0 C--O 1.252 1.186 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.438 -1.055 0 O-C-N 124.519 1.137 . . . . 25.0 111.008 179.509 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.195 -1.783 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 117.606 -1.188 . . . . 25.0 109.211 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.71 -46.16 89.95 Favored 'General case' 0 C--O 1.202 -1.434 0 O-C-N 124.233 0.958 . . . . 25.0 110.587 173.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.98 -44.65 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.582 0.706 . . . . 25.0 111.269 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.57 -42.45 92.49 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 120.795 -1.191 . . . . 25.0 110.838 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.21 93.95 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 118.819 0.736 . . . . 25.0 112.22 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.56 -42.77 99.33 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 121.71 0.767 . . . . 25.0 110.601 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.69 -45.4 75.25 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.096 -0.956 . . . . 25.0 110.554 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.96 -41.22 87.26 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 115.71 1.745 . . . . 25.0 115.71 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.33 -37.0 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 122.214 1.007 . . . . 25.0 111.629 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.3 t -77.92 -38.88 44.53 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 113.686 0.995 . . . . 25.0 113.686 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -145.6 17.79 Favored Glycine 0 C--O 1.265 2.071 0 N-CA-C 109.43 -1.468 . . . . 25.0 109.43 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -95.65 4.87 52.66 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 117.658 0.729 . . . . 25.0 111.318 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.04 -20.94 60.89 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.446 1.647 . . . . 25.0 115.446 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 144.18 14.16 Favored Glycine 0 C--O 1.22 -0.753 0 O-C-N 121.182 -0.949 . . . . 25.0 113.397 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 . . . . . 0 N--CA 1.491 1.602 0 CA-C-N 118.825 1.313 . . . . 25.0 108.458 176.144 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.468 -2.904 0 CA-C-O 127.316 3.731 . . . . 25.0 112.903 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.406 HG13 ' H ' ' A' ' 2' ' ' ILE . 16.0 mt -53.73 -51.97 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 110.756 -2.722 . . . . 25.0 111.784 -173.008 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.54 -35.18 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 O-C-N 121.584 -0.697 . . . . 25.0 111.057 -177.28 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.22 -37.56 85.85 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 117.987 -1.006 . . . . 25.0 110.107 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.75 -36.2 20.29 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.992 1.269 . . . . 25.0 110.037 -174.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.67 -17.07 10.01 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 118.337 2.718 . . . . 25.0 118.337 -167.179 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.62 -48.74 5.68 Favored 'General case' 0 C--O 1.206 -1.218 0 C-N-CA 119.669 -0.812 . . . . 25.0 112.172 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -72.09 -12.97 61.45 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.228 -1.545 . . . . 25.0 109.139 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -128.05 -177.8 4.28 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.3 119.59 35.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 118.656 0.662 . . . . 25.0 110.664 175.03 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t -86.75 166.63 15.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -144.11 152.24 40.67 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.832 0.825 . . . . 25.0 113.11 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.95 -29.97 68.77 Favored 'General case' 1 C--O 1.323 4.933 0 CA-C-O 122.664 1.221 . . . . 25.0 112.404 178.628 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.52 -40.88 93.48 Favored 'General case' 0 C--O 1.19 -2.063 1 O-C-N 115.493 -4.504 . . . . 25.0 116.077 172.504 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.07 -36.77 75.21 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 112.584 -2.098 . . . . 25.0 106.563 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.26 -32.71 73.45 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.32 -27.08 65.56 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 122.004 -0.435 . . . . 25.0 111.706 176.566 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -69.71 -13.37 62.26 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 113.872 1.064 . . . . 25.0 113.872 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -91.08 2.34 56.4 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.941 0.877 . . . . 25.0 108.834 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -138.48 -84.06 0.29 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.277 -0.874 . . . . 25.0 108.981 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 N--CA 1.425 -1.692 0 CA-C-O 126.869 3.223 . . . . 25.0 114.753 175.714 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 127.088 3.328 . . . . 25.0 119.673 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.2 t -77.79 119.08 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 112.979 -1.918 . . . . 25.0 108.109 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -85.6 88.22 7.5 Favored 'General case' 0 C--O 1.199 -1.581 0 O-C-N 121.295 -0.878 . . . . 25.0 109.461 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -136.65 -153.42 0.49 Allowed 'General case' 0 CA--C 1.571 1.78 0 CA-C-N 114.781 -1.099 . . . . 25.0 108.427 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -69.89 91.95 0.68 Allowed 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.559 -1.338 . . . . 25.0 109.679 172.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.9 111.29 18.65 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.262 1.722 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.455 179.102 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.5 p . . . . . 0 C--O 1.257 1.494 0 N-CA-C 112.335 0.495 . . . . 25.0 112.335 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -63.47 -43.69 96.61 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 118.114 -1.434 . . . . 25.0 113.087 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.63 -41.68 98.24 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 114.157 -1.383 . . . . 25.0 109.517 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.08 -43.36 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 -177.208 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.08 -41.7 99.48 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 179.015 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.52 98.45 Favored 'General case' 0 CA--C 1.558 1.285 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.75 -44.61 92.95 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.311 -0.852 . . . . 25.0 109.949 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.95 -38.46 82.5 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-N 119.521 1.055 . . . . 25.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.98 -41.92 77.22 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 115.187 -0.915 . . . . 25.0 110.685 -177.459 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.93 -32.89 15.75 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.677 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 -177.626 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 t -81.74 -34.78 30.32 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.383 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.1 168.58 13.54 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 114.222 0.449 . . . . 25.0 114.222 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -2.64 15.45 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 119.687 -2.067 . . . . 25.0 110.704 -177.484 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -3.6 58.6 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 123.967 0.792 . . . . 25.0 109.845 -176.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.91 -173.14 48.69 Favored Glycine 0 CA--C 1.49 -1.483 0 N-CA-C 107.667 -2.173 . . . . 25.0 107.667 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.497 -1.082 0 N-CA-C 115.501 1.667 . . . . 25.0 115.501 -175.293 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 3.881 0 CA-C-O 127.398 3.777 . . . . 25.0 113.602 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 mt -65.49 -26.44 39.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 111.36 -2.42 . . . . 25.0 106.156 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.3 m -64.38 -38.31 82.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 121.508 -0.745 . . . . 25.0 109.984 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -77.04 -28.48 54.85 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 178.141 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.48 -37.14 77.12 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.98 -38.41 69.72 Favored 'General case' 0 C--O 1.195 -1.789 0 C-N-CA 122.854 0.462 . . . . 25.0 111.921 178.087 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -57.13 -40.39 77.06 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.491 1.116 . . . . 25.0 112.744 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -83.83 -6.3 59.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 122.75 1.262 . . . . 25.0 110.067 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -118.98 -156.4 0.65 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.058 -0.974 . . . . 25.0 109.707 179.075 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.09 121.76 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 N-CA-C 102.652 -3.092 . . . . 25.0 102.652 174.361 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.75 140.36 29.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.021 -0.991 . . . . 25.0 110.156 -176.366 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.6 p -96.02 155.24 16.84 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -58.11 -33.73 69.44 Favored 'General case' 1 C--O 1.339 5.811 0 O-C-N 118.766 -2.459 . . . . 25.0 111.366 174.415 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.26 -50.67 66.69 Favored 'General case' 0 C--O 1.202 -1.416 1 O-C-N 115.643 -4.411 . . . . 25.0 110.785 174.489 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.23 -40.76 96.71 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 121.102 -0.999 . . . . 25.0 111.505 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -34.58 69.45 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 118.944 0.793 . . . . 25.0 111.698 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.12 -17.93 65.03 Favored 'General case' 0 CA--C 1.484 -1.578 0 N-CA-C 114.973 1.472 . . . . 25.0 114.973 179.367 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -15.72 62.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 120.038 -0.665 . . . . 25.0 111.932 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -87.73 -8.6 55.84 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 119.34 -0.944 . . . . 25.0 110.177 174.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.92 -148.88 0.41 Allowed 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 -174.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 126.998 3.285 . . . . 25.0 111.642 -179.091 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 114.904 1.446 . . . . 25.0 114.904 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -114.98 154.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -103.43 11.8 36.05 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.519 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.26 -156.88 0.6 Allowed 'General case' 0 C--O 1.256 1.423 0 C-N-CA 122.791 0.436 . . . . 25.0 110.297 -176.465 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -57.81 147.52 28.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.063 1.134 . . . . 25.0 114.063 -178.565 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.1 mt -126.8 99.03 5.59 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.219 1.009 . . . . 25.0 109.291 172.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.265 1.884 0 CA-C-N 114.522 -1.217 . . . . 25.0 111.818 179.861 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -70.84 -37.38 73.15 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.175 -1.578 . . . . 25.0 111.068 -175.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.44 -43.21 67.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 106.402 -1.703 . . . . 25.0 106.402 -175.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.62 -44.42 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.585 178.697 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.71 -42.45 86.35 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.904 -1.518 . . . . 25.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.45 -33.22 72.24 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.87 -37.2 48.72 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 115.566 -0.743 . . . . 25.0 111.879 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.69 -43.62 96.08 Favored 'General case' 0 C--O 1.275 2.432 0 CA-C-O 117.954 -1.022 . . . . 25.0 109.353 172.37 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.65 -44.66 89.74 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.665 1.228 . . . . 25.0 113.762 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.21 -29.61 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 119.802 -0.759 . . . . 25.0 111.687 -178.289 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.4 m -77.12 -37.72 53.57 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 118.761 -1.176 . . . . 25.0 110.866 178.571 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.09 -178.36 18.22 Favored Glycine 0 C--O 1.209 -1.455 0 N-CA-C 109.379 -1.488 . . . . 25.0 109.379 -175.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -65.83 -22.75 66.57 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 122.229 1.014 . . . . 25.0 113.336 -171.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -20.27 65.6 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.24 -0.891 . . . . 25.0 112.746 175.239 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.53 -153.9 52.93 Favored Glycine 0 C--O 1.203 -1.783 0 CA-C-O 122.429 1.016 . . . . 25.0 111.792 177.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 C--O 1.25 1.087 0 N-CA-C 106.957 -1.498 . . . . 25.0 106.957 -175.323 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.787 0 N-CA-C 111.066 -0.813 . . . . 25.0 111.066 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt -54.24 -42.22 55.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 121.241 -1.152 . . . . 25.0 111.207 176.767 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.5 -40.81 90.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.142 -0.974 . . . . 25.0 111.53 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -80.05 -19.91 46.51 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 118.259 0.481 . . . . 25.0 111.384 -178.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -89.06 -34.41 16.79 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.976 1.473 . . . . 25.0 114.976 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m -116.27 -22.0 9.06 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 118.192 2.664 . . . . 25.0 118.192 -176.151 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.65 -9.85 39.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.082 -1.011 . . . . 25.0 111.329 -175.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.99 135.02 40.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 166.112 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 t 52.91 -144.34 0.65 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-N 116.482 -0.326 . . . . 25.0 110.75 -176.111 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.02 127.44 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 121.031 -1.043 . . . . 25.0 108.661 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.33 127.95 36.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 122.274 1.035 . . . . 25.0 112.242 -175.893 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.322 0.582 . . . . 25.0 111.268 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -61.44 -32.7 72.69 Favored 'General case' 1 C--O 1.37 7.395 0 C-N-CA 126.443 1.897 . . . . 25.0 109.902 174.765 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.3 -34.34 75.07 Favored 'General case' 0 C--O 1.196 -1.752 0 O-C-N 117.509 -3.244 . . . . 25.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.17 -38.66 35.34 Favored 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 107.59 -1.263 . . . . 25.0 107.59 -179.108 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.41 -27.86 62.75 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 176.424 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -63.65 -27.82 69.48 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 120.957 0.408 . . . . 25.0 112.097 175.567 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -66.48 -20.95 66.17 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.092 -1.005 . . . . 25.0 109.698 -179.118 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -84.33 3.16 37.02 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 t -125.5 -149.89 0.43 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.276 1.036 . . . . 25.0 109.399 178.025 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 . . . . . 0 C--O 1.199 -1.572 0 CA-C-O 124.468 2.08 . . . . 25.0 115.339 -179.818 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--O 1.176 -2.767 0 CA-C-O 121.665 0.745 . . . . 25.0 112.776 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 t -124.25 129.48 74.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 122.969 1.366 . . . . 25.0 110.138 -177.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -83.98 141.89 30.89 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.689 -1.597 . . . . 25.0 106.689 175.059 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.456 ' HG3' ' H ' ' B' ' 5' ' ' HIS . 6.3 tp-100 -157.07 -157.93 0.72 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 -177.646 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.456 ' H ' ' HG3' ' B' ' 4' ' ' GLN . 96.2 m-70 -73.69 69.81 1.33 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.508 1.123 . . . . 25.0 109.267 169.477 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.92 101.91 1.47 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.414 -171.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 115.817 1.784 . . . . 25.0 115.817 -176.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 123.171 1.463 . . . . 25.0 112.626 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -60.61 -36.46 78.65 Favored 'General case' 0 C--O 1.201 -1.484 0 O-C-N 118.899 -2.376 . . . . 25.0 115.059 172.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.86 -43.14 97.01 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.417 1.103 . . . . 25.0 109.237 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -61.33 -47.25 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.619 0 CA-C-N 114.904 -1.044 . . . . 25.0 109.385 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.0 -44.36 97.54 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 175.4 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.83 83.35 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 121.924 -0.485 . . . . 25.0 111.764 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -43.35 96.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.202 0.525 . . . . 25.0 110.397 177.229 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.59 -41.57 98.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.621 -1.172 . . . . 25.0 109.899 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.0 -47.11 81.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 118.664 -0.684 . . . . 25.0 110.356 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.65 -27.46 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 120.022 -0.671 . . . . 25.0 109.999 -169.289 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.24 -19.8 17.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.5 -0.75 . . . . 25.0 111.496 -175.531 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.6 172.11 33.32 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 120.692 -1.255 . . . . 25.0 112.12 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -69.68 -4.92 21.63 Favored 'General case' 0 C--O 1.25 1.117 0 CA-C-O 118.374 -0.822 . . . . 25.0 112.514 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.94 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.976 0.797 . . . . 25.0 112.464 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.57 169.5 40.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.595 1.184 . . . . 25.0 115.301 179.351 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 p90 . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 122.152 0.977 . . . . 25.0 108.651 -175.284 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.304 0 CA-C-O 124.145 1.969 . . . . 25.0 113.603 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.83 -42.5 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 114.279 -0.96 . . . . 25.0 110.512 -177.695 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.947 -0.569 . . . . 25.0 110.351 173.139 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.39 -39.62 91.35 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.244 177.489 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -74.79 -38.72 62.06 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.284 0.476 . . . . 25.0 112.284 -178.019 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.0 -19.99 20.37 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 116.729 2.122 . . . . 25.0 116.729 -172.111 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -80.1 0.24 32.93 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 119.215 0.916 . . . . 25.0 109.848 177.621 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -127.72 157.81 39.32 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 103.996 -2.594 . . . . 25.0 103.996 176.772 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t 49.51 -154.34 0.11 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 122.813 0.445 . . . . 25.0 110.682 -171.315 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.28 134.13 45.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.271 0 O-C-N 121.972 -0.455 . . . . 25.0 110.97 178.354 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.43 121.6 40.57 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.568 1.167 . . . . 25.0 109.704 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -118.06 135.75 53.99 Favored 'General case' 0 C--O 1.265 1.919 0 CA-C-N 115.219 -0.9 . . . . 25.0 112.277 -173.116 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.02 -37.6 69.4 Favored 'General case' 1 C--O 1.324 4.996 0 O-C-N 125.193 1.558 . . . . 25.0 108.545 179.57 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -54.85 -39.41 68.59 Favored 'General case' 0 C--N 1.367 1.348 1 O-C-N 116.09 -4.131 . . . . 25.0 112.406 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.82 -33.12 46.36 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 119.029 -2.294 . . . . 25.0 112.484 -178.726 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.79 -28.41 69.97 Favored 'General case' 0 C--O 1.259 1.595 0 O-C-N 121.895 -0.503 . . . . 25.0 110.54 173.873 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -56.1 -30.33 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 119.448 -0.901 . . . . 25.0 111.033 175.317 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -65.25 -18.91 65.69 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 -176.104 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -96.59 1.43 51.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.691 -0.63 . . . . 25.0 112.253 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.7 t -77.29 -6.71 54.2 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.161 0.981 . . . . 25.0 108.813 172.183 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.187 -2.224 0 CA-C-O 126.15 2.881 . . . . 25.0 113.321 178.392 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 123.311 1.529 . . . . 25.0 113.803 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -59.93 146.96 9.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 113.085 -1.871 . . . . 25.0 111.946 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -81.64 -143.83 0.05 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.73 -1.123 . . . . 25.0 108.881 177.622 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -163.86 0.22 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-O 121.725 0.774 . . . . 25.0 110.05 171.882 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -92.19 95.29 9.65 Favored 'General case' 0 C--O 1.25 1.132 0 CA-C-N 114.464 -1.244 . . . . 25.0 111.921 -170.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.83 131.05 39.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.269 0.557 . . . . 25.0 111.525 179.261 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 97.4 m . . . . . 0 CA--C 1.509 -0.61 0 CA-C-N 114.746 -1.115 . . . . 25.0 112.131 -177.623 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.195 -1.798 0 N-CA-C 112.006 0.373 . . . . 25.0 112.006 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -67.58 -34.57 77.3 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 120.565 -1.334 . . . . 25.0 111.237 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.41 -44.55 74.81 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 175.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-O 122.047 0.927 . . . . 25.0 110.257 -176.099 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -68.38 -34.98 77.03 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.22 -178.302 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.53 83.02 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 123.371 1.558 . . . . 25.0 111.314 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.64 -38.7 77.26 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-N 113.831 -1.531 . . . . 25.0 110.008 -178.749 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.05 -44.29 94.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 124.698 1.249 . . . . 25.0 110.358 174.059 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.06 -33.4 75.71 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.934 1.827 . . . . 25.0 115.934 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.58 -28.98 8.7 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 C-N-CA 119.549 -0.86 . . . . 25.0 112.479 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -91.38 -28.75 17.49 Favored 'General case' 0 C--O 1.278 2.572 0 CA-C-N 118.357 0.526 . . . . 25.0 110.877 -176.161 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 -179.37 28.05 Favored Glycine 0 N--CA 1.474 1.198 0 N-CA-C 109.326 -1.509 . . . . 25.0 109.326 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.87 -8.59 49.81 Favored 'General case' 0 C--O 1.194 -1.852 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 178.442 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.08 -28.25 69.48 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 118.774 -0.631 . . . . 25.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.35 158.19 32.57 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.582 -0.607 . . . . 25.0 111.582 178.035 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 . . . . . 0 C--O 1.22 -0.49 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.938 -175.524 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.455 0 CA-C-O 124.219 2.011 . . . . 25.0 114.725 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.33 -42.45 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 O-C-N 119.962 -1.905 . . . . 25.0 111.721 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.09 -44.15 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 120.912 0.387 . . . . 25.0 110.268 178.376 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -67.52 -34.26 76.75 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.399 -0.364 . . . . 25.0 110.971 -173.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -90.93 -37.89 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -174.707 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.7 m -119.3 -3.25 10.54 Favored 'General case' 0 C--O 1.19 -2.031 0 N-CA-C 116.36 1.985 . . . . 25.0 116.36 -169.567 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -93.51 -38.32 11.46 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 119.448 1.022 . . . . 25.0 110.341 172.365 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -75.08 -13.18 60.46 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.33 0.586 . . . . 25.0 109.943 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -133.88 -162.81 1.28 Allowed 'General case' 0 C--O 1.261 1.659 0 N-CA-C 104.886 -2.264 . . . . 25.0 104.886 179.537 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -127.42 109.84 21.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.305 170.568 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -82.68 157.09 23.48 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.841 0.829 . . . . 25.0 112.7 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.1 m -83.68 158.14 21.94 Favored 'General case' 0 C--O 1.272 2.273 0 CA-C-N 114.047 -1.433 . . . . 25.0 109.586 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 -30.88 71.91 Favored 'General case' 1 C--O 1.319 4.732 0 O-C-N 120.372 -1.455 . . . . 25.0 111.201 -176.308 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -52.51 -54.97 25.54 Favored 'General case' 0 C--O 1.19 -2.037 0 O-C-N 119.443 -2.036 . . . . 25.0 111.092 169.285 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.3 -42.11 90.55 Favored 'General case' 0 C--O 1.183 -2.426 0 O-C-N 119.268 -2.145 . . . . 25.0 112.666 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.05 -28.63 64.69 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.033 -0.984 . . . . 25.0 112.914 175.572 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.16 -28.62 62.93 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.355 -1.338 . . . . 25.0 112.331 173.353 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.619 -0.676 . . . . 25.0 110.982 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.83 -11.02 54.44 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.281 0.562 . . . . 25.0 110.496 -178.01 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 t -99.0 -19.49 17.25 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 122.571 1.177 . . . . 25.0 107.836 174.365 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.17 -3.093 0 O-C-N 121.277 -0.89 . . . . 25.0 110.682 -170.502 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 122.523 1.154 . . . . 25.0 111.229 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.2 t -80.85 87.67 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -179.505 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -84.35 67.48 9.86 Favored 'General case' 0 C--O 1.199 -1.568 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 -178.696 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -124.9 179.08 5.17 Favored 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 105.874 -1.898 . . . . 25.0 105.874 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -41.63 117.44 0.92 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 174.237 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.16 84.73 6.13 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 113.974 -1.466 . . . . 25.0 113.117 -174.587 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.207 -1.167 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 179.792 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.189 -2.126 0 N-CA-C 114.695 1.368 . . . . 25.0 114.695 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 10' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' B' ' 10' ' ' HIS . 0.0 OUTLIER -72.28 -35.04 68.61 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 120.519 -1.363 . . . . 25.0 109.411 -175.854 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -43.9 89.98 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.043 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.27 -42.94 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.65 -0.657 . . . . 25.0 109.634 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -61.26 -49.21 78.0 Favored 'General case' 0 C--O 1.192 -1.942 0 O-C-N 121.628 -0.67 . . . . 25.0 111.271 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.46 88.1 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.608 -0.683 . . . . 25.0 110.832 178.52 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.377 -0.827 . . . . 25.0 111.731 178.154 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -65.7 -42.92 90.61 Favored 'General case' 0 C--O 1.199 -1.599 0 C-N-CA 124.466 1.106 . . . . 25.0 112.024 179.014 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.79 -40.59 83.91 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 176.134 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.59 -31.5 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.192 0 C-N-CA 119.657 -0.817 . . . . 25.0 112.54 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -13.41 18.67 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.899 -0.72 . . . . 25.0 112.26 -173.161 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -169.71 25.46 Favored Glycine 0 CA--C 1.537 1.422 0 N-CA-C 111.561 -0.616 . . . . 25.0 111.561 175.114 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.22 -25.5 64.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 O-C-N 121.45 -1.03 . . . . 25.0 111.176 -176.005 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -64.65 -32.88 74.74 Favored 'General case' 0 CA--C 1.481 -1.683 0 O-C-N 125.638 1.836 . . . . 25.0 108.029 -173.29 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.33 -176.41 38.13 Favored Glycine 0 C--O 1.211 -1.319 0 O-C-N 124.753 1.283 . . . . 25.0 111.04 172.147 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.8 p90 . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 174.469 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.202 -1.88 0 CA-C-O 124.606 2.225 . . . . 25.0 113.277 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.28 -38.25 60.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 O-C-N 121.225 -1.162 . . . . 25.0 108.279 -179.164 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.32 -44.5 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 CA-C-O 118.141 -0.933 . . . . 25.0 109.956 -178.607 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.81 -48.45 81.75 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 119.955 -0.698 . . . . 25.0 110.493 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -71.28 -38.99 71.79 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 116.633 2.086 . . . . 25.0 116.633 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.6 t -105.43 -21.57 13.2 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 118.84 2.904 . . . . 25.0 118.84 -170.639 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -82.55 -15.05 53.74 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 119.038 -2.288 . . . . 25.0 109.001 -175.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -102.02 151.36 22.23 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 176.129 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m 55.6 -168.04 0.09 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 -171.647 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -76.78 -40.96 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.979 0 O-C-N 121.141 -0.974 . . . . 25.0 112.953 -172.514 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.6 t 66.2 80.84 0.21 Allowed 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 122.959 1.362 . . . . 25.0 111.547 -172.049 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -64.31 159.88 20.04 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.267 -0.896 . . . . 25.0 109.63 -169.586 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -53.87 -36.19 62.37 Favored 'General case' 1 C--O 1.348 6.243 0 CA-C-O 122.358 1.075 . . . . 25.0 110.995 178.706 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -54.5 -50.63 67.36 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 118.053 -2.904 . . . . 25.0 113.093 171.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.11 -40.3 94.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.328 -0.858 . . . . 25.0 110.373 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.05 -41.81 93.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.548 0.739 . . . . 25.0 111.945 -178.532 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -26.8 62.81 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-N 115.495 -0.775 . . . . 25.0 112.192 177.243 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.25 -17.78 62.47 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.943 1.247 . . . . 25.0 112.117 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -77.41 -4.34 44.82 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 121.306 -0.871 . . . . 25.0 111.638 174.767 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -95.37 -160.35 0.78 Allowed 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 122.095 0.95 . . . . 25.0 111.773 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 120.051 -1.655 . . . . 25.0 114.217 -174.983 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 CA--C 1.581 2.171 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.6 t -99.46 124.07 52.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 104.846 -2.279 . . . . 25.0 104.846 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -110.27 36.29 3.11 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.824 0.821 . . . . 25.0 112.229 -171.204 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -99.08 -157.95 0.64 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 113.752 -1.567 . . . . 25.0 109.268 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -69.34 91.14 0.53 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.259 -0.877 . . . . 25.0 111.819 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.82 124.39 21.87 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 178.633 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.313 -0.983 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 176.267 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.208 -1.089 0 CA-C-O 121.357 0.599 . . . . 25.0 111.064 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -69.8 -33.41 72.33 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.595 -1.316 . . . . 25.0 109.003 -174.659 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.58 -47.25 73.35 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 174.656 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.25 -48.77 76.15 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.179 0 C-N-CA 123.084 0.554 . . . . 25.0 110.577 178.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.04 -47.97 80.72 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.166 -0.959 . . . . 25.0 111.263 179.414 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.99 87.1 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 122.077 -0.389 . . . . 25.0 110.502 -178.868 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -37.4 85.96 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 123.786 0.679 . . . . 25.0 110.129 -178.661 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.37 -43.11 86.84 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.763 1.289 . . . . 25.0 110.865 176.851 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.37 -39.14 85.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.687 0.995 . . . . 25.0 113.687 179.162 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -79.68 -34.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.99 -1.084 . . . . 25.0 109.631 -175.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.35 -32.33 24.3 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.91 -1.744 . . . . 25.0 110.783 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.66 -174.88 15.54 Favored Glycine 0 C--O 1.211 -1.313 0 CA-C-O 122.501 1.056 . . . . 25.0 112.425 177.028 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -66.43 -27.8 68.12 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 121.902 0.858 . . . . 25.0 111.527 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.49 48.66 1.68 Allowed 'General case' 0 C--O 1.189 -2.106 0 CA-C-N 114.521 -1.218 . . . . 25.0 109.307 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.63 -176.96 1.67 Allowed Glycine 0 CA--C 1.551 2.317 0 N-CA-C 119.826 2.69 . . . . 25.0 119.826 -171.173 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 p90 . . . . . 0 N--CA 1.437 -1.123 0 CA-C-N 112.362 -1.919 . . . . 25.0 114.284 -179.771 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.423 0 N-CA-C 116.939 1.536 . . . . 25.0 116.939 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.0 mt -69.2 -39.57 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.174 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 174.684 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.86 -40.27 84.66 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.522 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.88 -26.44 61.44 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -177.294 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -83.96 -44.93 13.7 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 -23.1 11.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 118.071 2.619 . . . . 25.0 118.071 -170.405 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -81.18 -3.24 51.57 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 118.307 -1.357 . . . . 25.0 112.825 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -112.65 147.78 36.02 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 103.572 -2.751 . . . . 25.0 103.572 171.555 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t 56.3 -172.23 0.07 Allowed 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 122.127 0.965 . . . . 25.0 108.946 -168.196 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.7 mm -92.1 125.8 44.72 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 O-C-N 120.867 -1.146 . . . . 25.0 111.969 -172.577 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.31 153.94 18.27 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 121.821 -0.549 . . . . 25.0 109.76 -178.634 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -150.65 158.47 44.19 Favored 'General case' 0 C--O 1.198 -1.62 0 O-C-N 124.111 0.882 . . . . 25.0 111.298 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.46 -31.87 62.32 Favored 'General case' 1 C--O 1.306 4.043 0 CA-C-O 122.874 1.321 . . . . 25.0 109.085 176.537 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -51.79 -52.27 50.23 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 117.792 -3.067 . . . . 25.0 113.66 171.649 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.05 -39.31 83.05 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.876 -1.14 . . . . 25.0 112.202 174.57 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.37 -27.54 62.39 Favored 'General case' 0 C--O 1.263 1.796 0 N-CA-C 115.506 1.669 . . . . 25.0 115.506 179.62 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -60.84 -23.74 65.36 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 114.988 1.477 . . . . 25.0 114.988 172.77 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.11 -15.63 63.84 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.516 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -105.95 5.55 30.58 Favored 'General case' 0 C--O 1.193 -1.903 0 CA-C-O 122.422 1.106 . . . . 25.0 111.736 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.3 t -103.55 -35.29 8.36 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 122.218 1.009 . . . . 25.0 109.772 175.874 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.197 -1.695 0 CA-C-O 127.747 3.641 . . . . 25.0 116.354 -175.143 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.513 2.704 0 N-CA-C 115.74 1.756 . . . . 25.0 115.74 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -125.21 131.55 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 CA-C-N 114.139 -1.391 . . . . 25.0 108.145 -173.422 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -94.57 -104.25 0.14 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 174.55 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 54.85 -139.02 1.04 Allowed 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 176.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -107.83 73.83 0.92 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.468 1.031 . . . . 25.0 109.351 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.14 129.96 43.24 Favored 'General case' 0 C--O 1.269 2.097 0 N-CA-C 105.419 -2.067 . . . . 25.0 105.419 -179.146 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.293 -1.882 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 -174.845 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 123.248 1.499 . . . . 25.0 110.852 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -68.67 -39.49 80.58 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 122.29 1.043 . . . . 25.0 111.495 179.072 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.54 -40.81 69.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 119.276 -0.97 . . . . 25.0 110.824 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.37 -44.17 91.9 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-O 119.432 -0.318 . . . . 25.0 111.728 173.814 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.31 -41.75 97.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 122.393 1.092 . . . . 25.0 112.096 178.091 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.73 81.82 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 114.484 -1.234 . . . . 25.0 112.661 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -40.2 74.63 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 -179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' B' ' 21' ' ' GLU . 79.9 t80 -61.24 -39.44 90.32 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.17 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.94 -42.03 85.97 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 115.81 1.781 . . . . 25.0 115.81 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 m -77.27 -26.74 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.037 -1.039 . . . . 25.0 113.039 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.49 -39.57 14.09 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.549 1.166 . . . . 25.0 110.54 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.07 179.74 15.88 Favored Glycine 0 C--O 1.211 -1.319 0 N-CA-C 110.581 -1.008 . . . . 25.0 110.581 175.623 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' CZ ' ' B' ' 16' ' ' TYR . 96.5 mt-10 -69.98 -1.5 9.89 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 121.75 -0.853 . . . . 25.0 111.723 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.63 -10.78 59.72 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 116.066 -0.516 . . . . 25.0 110.185 -176.429 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -171.05 31.65 Favored Glycine 0 C--O 1.253 1.303 0 CA-C-O 117.496 -1.724 . . . . 25.0 109.521 178.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.7 p90 . . . . . 0 N--CA 1.481 1.109 0 CA-C-N 119.633 1.716 . . . . 25.0 107.33 -177.718 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 116.359 1.304 . . . . 25.0 116.359 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.1 mm -53.88 -43.05 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 -176.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.8 -46.57 79.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.946 -1.096 . . . . 25.0 111.316 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.75 -42.67 90.66 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 122.174 -0.329 . . . . 25.0 111.3 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -75.6 -38.77 58.78 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.92 -51.24 3.2 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.614 1.197 . . . . 25.0 113.958 -175.097 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.02 -18.48 53.49 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 118.467 2.765 . . . . 25.0 118.467 -171.584 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -63.72 -17.58 63.14 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.925 -1.109 . . . . 25.0 112.224 -179.019 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 t -145.91 -169.32 3.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 104.802 -2.296 . . . . 25.0 104.802 178.406 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.33 115.52 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 106.328 -1.73 . . . . 25.0 106.328 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -92.88 148.2 22.21 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-N 113.097 -1.865 . . . . 25.0 108.773 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -122.14 156.2 34.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 124.26 1.981 . . . . 25.0 112.377 -171.873 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.78 -31.05 71.94 Favored 'General case' 1 C--O 1.332 5.42 0 CA-C-N 114.307 -1.315 . . . . 25.0 108.091 -178.919 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.22 -50.08 74.0 Favored 'General case' 0 CA--C 1.481 -1.676 0 O-C-N 120.043 -1.661 . . . . 25.0 112.535 173.713 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -66.48 -35.75 81.03 Favored 'General case' 0 C--O 1.194 -1.853 0 CA-C-N 113.271 -1.786 . . . . 25.0 111.074 -179.062 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -58.23 -34.14 70.12 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.766 0.666 . . . . 25.0 111.803 177.504 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.61 -33.68 55.81 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 175.064 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -69.81 -7.23 38.11 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 121.944 -0.473 . . . . 25.0 111.911 -177.014 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -104.75 10.56 34.59 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 121.467 0.651 . . . . 25.0 110.016 -178.032 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -129.37 170.88 13.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 105.47 -2.048 . . . . 25.0 105.47 178.838 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 . . . . . 0 C--O 1.205 -1.249 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 173.827 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 116.002 1.852 . . . . 25.0 116.002 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.02 136.54 55.29 Favored 'Isoleucine or valine' 0 C--O 1.264 1.836 0 CA-C-N 113.383 -1.735 . . . . 25.0 107.415 175.875 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -93.6 104.47 16.58 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.78 -158.22 0.84 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 -178.475 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -83.31 76.08 9.92 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 107.124 -1.435 . . . . 25.0 107.124 179.11 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.19 106.81 1.76 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.471 -0.786 . . . . 25.0 109.184 -177.736 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.257 1.474 0 CA-C-O 122.97 1.367 . . . . 25.0 110.242 176.657 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.039 0.447 . . . . 25.0 111.061 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -62.08 -30.88 71.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.763 -1.113 . . . . 25.0 113.853 176.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.94 -42.19 85.72 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 123.794 0.684 . . . . 25.0 110.213 177.119 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -64.94 -42.3 94.43 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 C-N-CA 123.146 0.578 . . . . 25.0 109.583 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -69.58 -39.23 77.46 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 124.444 1.09 . . . . 25.0 110.526 -179.253 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.03 -35.25 79.48 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 118.341 -1.344 . . . . 25.0 109.682 176.835 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -42.17 98.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 122.115 -0.366 . . . . 25.0 111.15 174.829 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.18 -41.04 92.05 Favored 'General case' 0 N--CA 1.416 -2.17 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 175.366 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.28 -38.98 91.93 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 115.064 -0.971 . . . . 25.0 113.207 177.199 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.45 -45.58 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 118.684 0.675 . . . . 25.0 111.351 176.633 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -16.51 45.5 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -171.94 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.86 -173.48 43.37 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 110.369 -1.092 . . . . 25.0 110.369 176.704 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.86 -4.52 13.01 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 113.98 1.104 . . . . 25.0 113.98 -179.196 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -65.2 -27.39 68.65 Favored 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.86 -176.84 10.77 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 120.47 -0.871 . . . . 25.0 113.754 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 p90 . . . . . 0 C--N 1.315 -0.931 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 179.193 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -1.238 0 CA-C-O 123.866 1.814 . . . . 25.0 112.108 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.13 -37.74 80.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.787 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.72 -33.78 63.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 121.501 -0.75 . . . . 25.0 109.805 177.725 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -65.5 -43.45 90.12 Favored 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 118.244 -1.383 . . . . 25.0 109.405 175.109 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.46 -42.45 96.2 Favored 'General case' 0 C--O 1.182 -2.453 0 CA-C-O 117.653 -1.165 . . . . 25.0 109.037 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.59 -27.43 63.13 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.731 1.151 . . . . 25.0 110.888 -177.748 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.03 -44.89 79.09 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 121.539 -0.726 . . . . 25.0 110.91 176.27 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -91.02 -24.57 20.03 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-O 118.409 -0.805 . . . . 25.0 112.773 -175.563 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -133.34 164.3 27.42 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.231 0.957 . . . . 25.0 112.929 -177.39 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -64.51 136.55 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 120.348 -0.541 . . . . 25.0 111.939 -178.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -136.14 157.46 46.78 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 122.158 0.98 . . . . 25.0 111.061 173.529 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.7 p -94.42 169.62 10.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 116.906 2.187 . . . . 25.0 116.906 -168.831 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.35 -34.17 72.04 Favored 'General case' 1 C--O 1.35 6.357 0 O-C-N 119.254 -2.154 . . . . 25.0 111.403 168.389 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.89 -40.17 94.68 Favored 'General case' 0 C--O 1.198 -1.611 0 O-C-N 119.234 -2.167 . . . . 25.0 111.108 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -71.34 -42.02 69.06 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 114.704 -1.134 . . . . 25.0 109.592 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.76 -38.98 67.87 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.83 177.333 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.77 -26.73 65.95 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -176.863 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.98 -15.57 60.13 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 118.807 -0.616 . . . . 25.0 110.701 -173.811 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -70.25 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.222 0.919 . . . . 25.0 109.679 171.294 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.8 m -89.18 142.7 27.42 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 177.03 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 C--O 1.197 -1.693 0 CA-C-O 125.812 2.72 . . . . 25.0 112.575 -178.542 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 C--O 1.194 -1.837 0 CA-C-O 124.901 2.286 . . . . 25.0 114.944 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.23 136.6 26.2 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 CA-C-N 113.133 -1.849 . . . . 25.0 108.52 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -76.65 68.63 2.94 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 122.441 1.115 . . . . 25.0 113.552 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -126.76 7.64 6.81 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.75 -1.114 . . . . 25.0 110.431 -176.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 p80 35.69 64.35 0.49 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 177.658 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.95 138.49 50.07 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 103.226 -2.879 . . . . 25.0 103.226 177.116 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t . . . . . 0 C--O 1.254 1.307 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 179.909 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--O 1.21 -1.013 0 CA-C-O 120.632 0.253 . . . . 25.0 110.532 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -71.15 -31.5 67.78 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.486 -2.009 . . . . 25.0 111.969 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.75 -35.64 72.75 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 178.194 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.73 -40.41 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.67 -37.71 85.31 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 121.314 0.578 . . . . 25.0 112.414 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.99 96.6 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 178.107 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 tp -61.13 -39.7 91.0 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.743 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.55 -42.21 98.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.456 0.646 . . . . 25.0 110.768 178.349 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.2 -43.32 99.06 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 122.69 1.233 . . . . 25.0 114.102 179.139 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 m -79.14 -26.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 O-C-N 120.907 -1.121 . . . . 25.0 113.073 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 -25.64 30.31 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 114.18 1.178 . . . . 25.0 114.18 176.697 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.71 169.56 34.01 Favored Glycine 0 CA--C 1.499 -0.937 0 N-CA-C 107.54 -2.224 . . . . 25.0 107.54 -177.788 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -63.38 -2.77 1.63 Allowed 'General case' 0 CA--C 1.572 1.826 0 CA-C-N 113.878 -1.161 . . . . 25.0 113.373 -177.411 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -23.53 61.04 Favored 'General case' 0 C--O 1.196 -1.737 0 O-C-N 123.945 0.778 . . . . 25.0 110.84 177.83 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.37 -170.88 41.35 Favored Glycine 0 C--O 1.181 -3.188 0 N-CA-C 109.594 -1.403 . . . . 25.0 109.594 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 116.519 2.044 . . . . 25.0 116.519 -168.958 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.809 0 CA-C-O 124.165 1.981 . . . . 25.0 108.985 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.439 HG12 ' CD1' ' A' ' 19' ' ' TYR . 40.2 mt -51.99 -55.3 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 111.808 -2.196 . . . . 25.0 112.913 -175.687 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 m -73.53 -25.92 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 O-C-N 120.157 -1.589 . . . . 25.0 111.6 -176.84 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -69.41 -40.33 77.36 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.529 -0.732 . . . . 25.0 109.428 -177.144 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -74.34 -50.58 18.12 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 114.332 -1.304 . . . . 25.0 111.934 178.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.1 m -81.49 -16.7 51.06 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 115.288 1.588 . . . . 25.0 115.288 -172.264 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.98 -12.56 60.04 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 120.697 -1.252 . . . . 25.0 111.98 179.139 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 t -118.18 -7.88 10.72 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.714 1.245 . . . . 25.0 111.48 -178.824 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -128.95 176.53 7.8 Favored 'General case' 0 CA--C 1.484 -1.567 0 N-CA-C 104.785 -2.302 . . . . 25.0 104.785 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.29 109.92 30.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.7 m -93.72 107.64 19.49 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.142 -1.058 . . . . 25.0 108.142 -179.128 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -60.78 154.42 21.87 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.196 -0.911 . . . . 25.0 110.882 169.887 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' ' N ' ' B' ' 1' ' ' PHE . 8.5 mp -58.05 -31.25 66.86 Favored 'General case' 0 C--O 1.301 3.765 0 O-C-N 121.435 -0.79 . . . . 25.0 109.571 -177.729 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -55.73 -37.97 69.14 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 117.75 -3.094 . . . . 25.0 113.383 174.355 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -80.74 -38.85 27.96 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 113.673 -1.603 . . . . 25.0 109.333 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.78 -26.4 65.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 124.268 0.98 . . . . 25.0 110.303 177.556 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.92 -25.72 57.91 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.387 -0.821 . . . . 25.0 111.138 174.512 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -64.2 -22.8 67.08 Favored 'General case' 0 C--O 1.191 -2.025 0 CA-C-N 118.933 0.788 . . . . 25.0 112.58 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CD1' HG12 ' A' ' 2' ' ' ILE . 46.0 m-85 -89.44 -8.38 53.11 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 121.348 -0.845 . . . . 25.0 111.236 -179.356 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.5 m -98.83 -13.64 20.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.661 -1.154 . . . . 25.0 110.265 174.212 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.209 -1.05 0 CA-C-O 124.471 2.081 . . . . 25.0 112.233 -175.076 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.522 ' N ' ' H ' ' A' ' 13' ' ' LEU . 5.3 m-85 . . . . . 0 C--O 1.184 -2.361 0 CA-C-O 123.098 1.428 . . . . 25.0 113.573 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.43 131.5 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.122 0 N-CA-C 107.72 -1.215 . . . . 25.0 107.72 -177.259 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -148.4 -152.71 0.45 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 107.129 -1.434 . . . . 25.0 107.129 179.14 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -91.95 -179.35 5.27 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 118.693 0.679 . . . . 25.0 110.318 169.347 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -63.57 -50.55 69.04 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.267 1.21 . . . . 25.0 114.267 -176.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.7 mt 63.27 -174.81 0.15 Allowed 'General case' 0 C--O 1.198 -1.618 0 O-C-N 124.989 1.431 . . . . 25.0 108.852 -171.297 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.474 -1.95 0 O-C-N 121.07 -1.018 . . . . 25.0 109.905 -174.147 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -57.26 -31.21 65.34 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 175.011 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -75.75 -44.07 43.54 Favored 'General case' 0 C--O 1.247 0.957 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 -175.016 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.5 -37.26 77.4 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 176.434 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.7 -39.58 84.39 Favored 'General case' 0 C--O 1.184 -2.383 0 O-C-N 120.456 -1.403 . . . . 25.0 110.248 177.713 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.79 92.51 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 177.851 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 tp -66.45 -39.47 88.89 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.334 -0.841 . . . . 25.0 110.372 -178.588 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.045 0.938 . . . . 25.0 111.894 173.008 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.63 -40.6 95.45 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 179.157 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -81.51 -29.24 10.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.973 0 C-N-CA 118.61 -1.236 . . . . 25.0 112.029 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.7 -33.2 31.29 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 119.077 0.853 . . . . 25.0 112.994 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.62 -171.28 52.68 Favored Glycine 0 C--O 1.204 -1.763 0 N-CA-C 111.16 -0.776 . . . . 25.0 111.16 -169.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.93 -1.59 2.11 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.27 1.582 . . . . 25.0 115.27 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -12.24 60.21 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 -175.636 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 172.08 45.1 Favored Glycine 0 C--N 1.293 -1.837 0 N-CA-C 108.679 -1.768 . . . . 25.0 108.679 172.462 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 118.946 -0.549 . . . . 25.0 110.444 -172.186 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.904 0 CA-C-O 123.563 1.646 . . . . 25.0 115.882 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.88 -32.93 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 119.387 -2.243 . . . . 25.0 108.492 178.851 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.1 -31.93 52.15 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.216 0 O-C-N 121.262 -0.899 . . . . 25.0 111.049 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.33 -36.55 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.643 -0.66 . . . . 25.0 110.245 176.924 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -61.12 -39.48 90.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.451 170.655 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -34.91 76.98 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.93 -1.106 . . . . 25.0 110.495 179.647 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -70.16 -41.67 73.52 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.39 -0.818 . . . . 25.0 111.862 179.614 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.61 -14.07 61.53 Favored 'General case' 0 C--N 1.308 -1.199 0 O-C-N 123.686 0.616 . . . . 25.0 111.852 179.451 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -118.83 -141.58 0.36 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 102.416 -3.179 . . . . 25.0 102.416 179.692 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -125.37 124.81 67.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 103.515 -2.772 . . . . 25.0 103.515 175.164 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.5 m -72.35 166.88 21.62 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.025 0.917 . . . . 25.0 111.85 -173.71 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -133.34 155.6 49.15 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.855 -1.153 . . . . 25.0 108.169 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.48 -36.83 85.04 Favored 'General case' 1 C--O 1.325 5.054 0 O-C-N 119.006 -2.309 . . . . 25.0 111.126 -177.403 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.93 -40.25 97.05 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 117.941 -2.974 . . . . 25.0 113.11 -179.565 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -64.43 -44.82 90.0 Favored 'General case' 0 C--N 1.377 1.786 0 CA-C-N 115.194 -0.912 . . . . 25.0 109.98 174.013 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 3.4 mp -55.95 -36.41 67.75 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 114.731 1.382 . . . . 25.0 114.731 -179.024 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.78 -27.95 53.62 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.293 1.22 . . . . 25.0 114.293 172.949 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -75.76 -14.39 60.32 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 123.117 1.437 . . . . 25.0 110.921 -176.107 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 11.2 m-85 -89.23 -1.76 58.21 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.281 -0.887 . . . . 25.0 109.32 178.469 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.15 2.3 12.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.438 -0.801 . . . . 25.0 111.019 176.421 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 . . . . . 0 CA--C 1.559 1.316 0 CA-C-O 125.418 2.532 . . . . 25.0 111.481 -169.12 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 125.822 2.725 . . . . 25.0 113.251 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 69.8 t -104.83 125.2 59.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 119.436 -2.04 . . . . 25.0 107.251 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -126.66 129.19 47.98 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.408 0.623 . . . . 25.0 111.111 -176.718 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -127.67 -146.64 0.33 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.755 176.505 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.14 79.61 7.76 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.38 124.32 23.19 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 -178.194 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.677 1 N-CA-C 99.32 -4.326 . . . . 25.0 99.32 178.33 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 122.259 1.028 . . . . 25.0 110.662 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -60.67 -39.02 86.88 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 120.451 -1.406 . . . . 25.0 112.572 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.82 -35.9 77.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.824 -0.751 . . . . 25.0 111.461 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.86 -43.94 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.272 1.034 . . . . 25.0 111.808 177.539 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.11 -47.8 82.98 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 177.44 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.16 86.72 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.891 0.769 . . . . 25.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.28 -41.8 85.16 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 119.902 -0.719 . . . . 25.0 111.695 175.944 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.67 -47.99 78.61 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 118.263 -0.875 . . . . 25.0 112.436 172.43 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.1 -39.35 86.72 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 124.011 0.82 . . . . 25.0 111.358 -177.438 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -85.88 -31.08 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 N-CA-C 114.321 1.23 . . . . 25.0 114.321 -176.585 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -104.66 -31.29 9.45 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 121.312 -0.867 . . . . 25.0 112.753 -179.148 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.81 -178.98 35.28 Favored Glycine 0 CA--C 1.555 2.584 0 N-CA-C 108.464 -1.855 . . . . 25.0 108.464 -168.718 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.79 8.98 1.25 Allowed 'General case' 0 CA--C 1.57 1.74 0 CA-C-N 118.331 1.065 . . . . 25.0 111.906 176.122 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -24.43 46.07 Favored 'General case' 0 C--O 1.194 -1.852 0 O-C-N 121.461 -0.775 . . . . 25.0 110.221 174.12 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.14 -122.76 4.93 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-O 123.551 1.64 . . . . 25.0 109.675 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.539 0.533 0 O-C-N 120.242 -1.74 . . . . 25.0 114.257 -170.611 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.394 0 CA-C-O 125.513 2.73 . . . . 25.0 117.277 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.47 -38.5 81.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 119.295 -2.297 . . . . 25.0 111.298 -176.428 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -73.49 -40.52 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 -175.036 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.147 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -62.93 -41.48 99.49 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 118.409 0.549 . . . . 25.0 109.819 178.524 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -29.88 70.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 120.547 -1.345 . . . . 25.0 112.134 178.827 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -72.42 -57.72 3.96 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -74.39 -24.36 59.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.456 -1.402 . . . . 25.0 111.895 -170.042 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -132.78 -133.56 0.18 Allowed 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 117.889 -1.053 . . . . 25.0 111.965 -176.645 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.7 mm -110.79 -55.49 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 123.876 0.735 . . . . 25.0 111.626 -174.921 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 55.61 179.5 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 122.979 1.371 . . . . 25.0 111.799 -174.59 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -136.47 151.56 49.59 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.655 -1.903 . . . . 25.0 115.535 -176.25 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.04 -32.67 72.29 Favored 'General case' 1 C--O 1.358 6.8 0 CA-C-O 122.737 1.255 . . . . 25.0 110.76 176.353 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.33 -33.54 59.15 Favored 'General case' 0 C--O 1.205 -1.272 1 O-C-N 115.514 -4.491 . . . . 25.0 115.204 170.603 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.52 -41.36 32.5 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 119.929 -1.732 . . . . 25.0 106.757 177.429 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.29 -20.79 45.56 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 124.693 1.245 . . . . 25.0 111.078 -179.148 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.83 -27.47 42.29 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 119.638 1.108 . . . . 25.0 111.95 174.096 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -61.38 -25.07 66.93 Favored 'General case' 0 C--O 1.204 -1.309 0 O-C-N 121.51 -0.744 . . . . 25.0 112.386 -179.532 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -84.88 1.82 45.4 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.489 0.922 . . . . 25.0 113.489 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.57 178.36 7.16 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 121.243 -0.911 . . . . 25.0 111.733 -175.377 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 124.631 2.158 . . . . 25.0 112.783 171.334 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 118.224 2.675 . . . . 25.0 118.224 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.16 120.03 23.98 Favored 'Isoleucine or valine' 0 C--O 1.26 1.63 0 N-CA-C 103.646 -2.724 . . . . 25.0 103.646 168.388 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -128.9 162.95 26.35 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 111.955 0.354 . . . . 25.0 111.955 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -131.59 -174.07 3.3 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 104.885 -2.265 . . . . 25.0 104.885 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -58.62 131.85 52.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.968 0.804 . . . . 25.0 112.653 177.185 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -126.0 125.0 41.95 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.863 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.206 -1.214 0 CA-C-O 122.372 1.082 . . . . 25.0 112.381 -177.981 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -66.6 -26.35 67.05 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.71 1.004 . . . . 25.0 113.71 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.67 -45.67 82.03 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -63.78 -46.27 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.097 0.873 . . . . 25.0 110.104 177.869 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.85 -39.95 72.19 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.435 -1.269 . . . . 25.0 109.619 176.905 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.65 77.21 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 119.298 0.954 . . . . 25.0 111.572 -177.712 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -45.95 86.81 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 115.777 -0.647 . . . . 25.0 110.146 176.5 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -62.47 -41.08 98.52 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.115 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.0 -41.71 90.7 Favored 'General case' 0 C--O 1.199 -1.559 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -80.25 -30.71 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 C-N-CA 118.538 -1.265 . . . . 25.0 112.684 -174.707 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -82.89 -38.59 22.7 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 118.721 -0.657 . . . . 25.0 110.79 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.1 174.77 14.2 Favored Glycine 0 CA--C 1.489 -1.552 0 CA-C-O 117.4 -1.778 . . . . 25.0 113.199 179.394 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.26 -14.59 63.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.636 1.718 . . . . 25.0 111.877 -176.658 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -15.99 63.37 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 113.57 -1.65 . . . . 25.0 113.031 -179.667 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.02 -167.78 54.7 Favored Glycine 0 C--O 1.193 -2.464 0 CA-C-O 122.185 0.88 . . . . 25.0 113.537 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.216 -0.661 0 CA-C-O 122.257 1.027 . . . . 25.0 108.363 -174.388 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.179 -3.29 0 N-CA-C 119.48 2.552 . . . . 25.0 119.48 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -56.66 -47.35 82.47 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.825 0 O-C-N 120.071 -1.841 . . . . 25.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.07 -35.08 70.31 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 119.919 -1.738 . . . . 25.0 109.373 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.29 -45.06 67.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -178.497 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -69.88 -36.61 75.59 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 117.936 -1.031 . . . . 25.0 111.1 -175.033 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.22 -13.01 11.78 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 117.983 2.586 . . . . 25.0 117.983 -171.908 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.38 -17.9 60.09 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.08 -1.013 . . . . 25.0 111.265 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 t -73.6 -5.44 40.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.367 1.467 . . . . 25.0 112.717 -175.83 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -149.75 -179.96 7.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.926 1.29 . . . . 25.0 110.447 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -77.3 99.87 2.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 175.005 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -75.86 113.91 13.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.067 -178.842 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -79.12 157.61 27.91 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.856 -1.164 . . . . 25.0 107.856 -169.934 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.444 HD13 ' H ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.45 -36.7 69.34 Favored 'General case' 0 C--O 1.301 3.776 0 C-N-CA 119.537 -0.865 . . . . 25.0 109.454 171.241 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' H ' HD13 ' A' ' 13' ' ' LEU . 19.0 t80 -64.81 -37.51 87.86 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 119.008 -2.307 . . . . 25.0 112.427 -178.04 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -72.28 -43.55 64.09 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 114.297 -1.319 . . . . 25.0 109.58 177.501 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.47 -30.12 70.4 Favored 'General case' 0 C--O 1.182 -2.471 0 O-C-N 121.292 -0.88 . . . . 25.0 112.207 178.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -61.92 -22.72 65.84 Favored 'General case' 0 C--O 1.184 -2.344 0 N-CA-C 113.178 0.807 . . . . 25.0 113.178 174.524 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -78.86 -3.41 44.52 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 119.127 -2.233 . . . . 25.0 113.728 178.01 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -102.35 -9.78 20.04 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.641 1.21 . . . . 25.0 109.561 175.752 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.1 t -83.54 146.76 28.16 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 114.811 -1.086 . . . . 25.0 109.714 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--O 1.209 -1.068 0 CA-C-O 125.437 2.541 . . . . 25.0 110.467 -178.888 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 123.154 1.454 . . . . 25.0 114.545 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.7 t -78.42 88.4 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 O-C-N 119.688 -1.882 . . . . 25.0 112.469 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -77.01 18.62 0.35 Allowed 'General case' 0 C--O 1.19 -2.051 0 CA-C-N 114.751 -1.113 . . . . 25.0 113.178 174.69 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -111.85 -4.92 14.45 Favored 'General case' 0 N--CA 1.412 -2.327 0 C-N-CA 122.643 0.377 . . . . 25.0 111.43 178.284 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.96 17.03 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 121.46 3.874 . . . . 25.0 121.46 174.859 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.65 147.36 22.76 Favored 'General case' 0 C--O 1.259 1.568 0 CA-C-O 123.241 1.496 . . . . 25.0 111.566 174.545 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 CA--C 1.556 1.177 0 CA-C-N 113.298 -1.774 . . . . 25.0 113.436 -174.7 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -68.86 -35.34 76.8 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 115.878 1.807 . . . . 25.0 115.878 -175.138 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.85 -38.36 90.73 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 118.035 0.38 . . . . 25.0 111.184 173.951 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 t -66.26 -41.61 89.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 176.635 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -67.43 -36.77 81.87 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.21 -0.996 . . . . 25.0 111.209 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.85 80.74 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.57 -44.73 85.53 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.701 -0.681 . . . . 25.0 111.42 175.383 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -61.96 -42.53 99.22 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.435 -0.793 . . . . 25.0 110.524 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.33 -44.57 96.96 Favored 'General case' 0 N--CA 1.514 2.727 0 CA-C-N 119.199 0.909 . . . . 25.0 112.894 178.462 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.29 -27.63 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.974 0 O-C-N 123.694 0.621 . . . . 25.0 111.412 -178.687 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 -28.7 24.93 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-O 123.413 1.578 . . . . 25.0 109.602 -177.576 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.52 -174.08 20.79 Favored Glycine 0 C--O 1.247 0.915 0 N-CA-C 105.483 -3.047 . . . . 25.0 105.483 174.242 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.64 -10.54 59.92 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -72.32 -25.06 61.42 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.239 0.543 . . . . 25.0 109.708 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.39 -175.89 32.21 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 122.966 1.314 . . . . 25.0 113.327 172.396 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--N 1.323 -0.557 0 O-C-N 121.388 -1.066 . . . . 25.0 109.115 -175.335 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.967 0 CA-C-O 125.822 2.901 . . . . 25.0 112.405 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.82 -35.84 70.21 Favored 'Isoleucine or valine' 0 C--O 1.167 -3.257 0 CA-C-N 109.665 -3.268 . . . . 25.0 109.426 -177.916 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.68 -34.86 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 O-C-N 120.414 -1.429 . . . . 25.0 113.765 173.59 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.1 -35.97 74.52 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.537 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.75 -42.94 99.91 Favored 'General case' 0 C--O 1.199 -1.574 0 CA-C-N 114.028 -1.442 . . . . 25.0 110.072 175.747 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.7 m -68.35 -21.17 64.74 Favored 'General case' 0 C--O 1.197 -1.662 0 CA-C-N 115.232 -0.895 . . . . 25.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.07 -42.08 16.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 175.226 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -86.5 -16.53 36.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.201 -1.562 . . . . 25.0 115.212 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -128.71 -176.37 3.82 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 -174.003 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.23 132.39 31.67 Favored 'Isoleucine or valine' 0 C--O 1.251 1.149 0 CA-C-O 121.702 0.763 . . . . 25.0 109.555 178.209 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -100.83 162.92 12.57 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.041 -175.635 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -130.77 159.72 36.48 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 123.473 1.606 . . . . 25.0 112.817 177.192 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.56 -37.0 77.31 Favored 'General case' 1 C--O 1.319 4.747 0 O-C-N 119.455 -2.028 . . . . 25.0 110.576 177.627 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -63.34 -38.98 93.25 Favored 'General case' 0 C--O 1.201 -1.495 0 O-C-N 117.225 -3.422 . . . . 25.0 111.9 177.518 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.09 -40.89 95.26 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.733 0.778 . . . . 25.0 109.868 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.67 -38.81 75.77 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 113.64 -1.618 . . . . 25.0 112.404 -175.862 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.98 -25.43 63.59 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 116.006 1.854 . . . . 25.0 116.006 -178.938 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -71.29 -11.48 60.94 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -179.674 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -96.21 12.08 32.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 120.147 -0.621 . . . . 25.0 110.074 174.033 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -126.62 177.82 6.28 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 . . . . . 0 CA--C 1.573 1.845 0 CA-C-O 126.908 3.242 . . . . 25.0 111.525 173.311 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 121.545 0.688 . . . . 25.0 111.996 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -85.14 132.82 30.8 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 -175.836 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -79.81 125.45 29.71 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.86 -0.792 . . . . 25.0 108.86 177.587 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -150.8 -162.95 1.66 Allowed 'General case' 0 C--O 1.249 1.077 0 C-N-CA 119.908 -0.717 . . . . 25.0 111.398 -175.463 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -72.3 150.05 43.9 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.551 0.532 . . . . 25.0 110.135 175.924 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -133.73 90.8 2.75 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 118.47 0.577 . . . . 25.0 110.194 171.916 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.24 0.573 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 175.617 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.88 -1.057 . . . . 25.0 110.319 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -64.1 -34.53 78.26 Favored 'General case' 0 CA--C 1.561 1.377 0 CA-C-N 119.891 1.223 . . . . 25.0 111.547 -178.453 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.4 -39.63 81.61 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-O 121.907 0.86 . . . . 25.0 109.733 177.12 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.07 -44.68 99.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.417 -0.802 . . . . 25.0 109.541 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.36 -42.19 98.87 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.361 0.601 . . . . 25.0 111.273 178.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.52 84.61 Favored 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 177.265 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.55 -44.61 95.93 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 176.104 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.8 -41.35 97.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 118.831 -0.604 . . . . 25.0 110.643 179.825 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.94 -44.74 84.18 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 120.336 -0.546 . . . . 25.0 109.753 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -81.29 -25.28 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.01 0 N-CA-C 116.645 2.091 . . . . 25.0 116.645 -175.749 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.59 -5.82 8.12 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 119.056 -1.058 . . . . 25.0 113.667 -171.098 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.21 -166.11 13.31 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.958 -0.639 . . . . 25.0 113.136 172.418 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.52 79.31 0.27 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -175.691 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.421 ' HA ' ' CZ ' ' B' ' 24' ' ' PHE . 0.0 OUTLIER 51.78 30.72 7.23 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 169.331 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.66 9.56 64.81 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 120.495 -0.859 . . . . 25.0 113.498 -179.17 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' B' ' 22' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.206 -1.227 0 CA-C-N 117.499 0.649 . . . . 25.0 112.043 -173.794 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 CA-C-O 123.634 1.686 . . . . 25.0 112.23 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.16 -48.24 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.636 1.974 . . . . 25.0 112.052 -174.325 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 m -72.13 -32.67 44.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 120.44 -0.504 . . . . 25.0 110.415 177.869 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.5 -38.31 90.59 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 123.797 0.686 . . . . 25.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -80.61 -38.87 28.5 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 124.735 1.272 . . . . 25.0 112.318 -177.108 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.73 -22.94 3.79 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 119.337 3.088 . . . . 25.0 119.337 -170.635 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.59 -32.5 62.38 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.393 -1.442 . . . . 25.0 108.515 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -88.25 147.18 24.95 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 173.277 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t 56.92 -157.32 0.28 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 117.054 -1.45 . . . . 25.0 112.165 -171.396 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -100.46 122.96 53.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 -174.861 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.87 129.03 34.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 177.894 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -91.15 152.45 20.57 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 121.855 -0.528 . . . . 25.0 110.913 176.054 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.704 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.86 -29.79 70.3 Favored 'General case' 1 C--O 1.321 4.837 0 CA-C-O 123.075 1.417 . . . . 25.0 112.543 178.219 . . . . . . . . 4 4 . 1 . 035 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -58.47 -41.27 84.87 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 116.691 -3.756 . . . . 25.0 114.595 165.556 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.08 -43.14 65.32 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 118.365 -2.709 . . . . 25.0 107.942 -175.444 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.47 -39.03 82.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.335 -0.848 . . . . 25.0 111.936 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.47 -19.92 65.15 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 117.967 -1.493 . . . . 25.0 112.498 -177.08 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -68.62 -20.11 64.47 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -176.198 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.97 9.93 23.31 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 -178.393 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.5 m -74.93 -12.17 60.29 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 119.032 0.833 . . . . 25.0 109.802 173.873 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--O 1.207 -1.134 0 CA-C-O 124.553 2.121 . . . . 25.0 108.706 164.462 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.2 t80 . . . . . 0 CA--C 1.484 -1.582 0 CA-C-O 124.706 2.193 . . . . 25.0 109.315 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t -96.55 120.51 45.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 O-C-N 119.86 -1.775 . . . . 25.0 109.24 -176.904 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -79.97 96.76 6.51 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 116.183 -0.462 . . . . 25.0 109.991 176.538 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -148.27 173.61 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 -179.607 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.44 72.25 10.25 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 122.519 1.152 . . . . 25.0 108.046 176.006 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -78.9 91.75 4.82 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 122.972 1.367 . . . . 25.0 109.073 -174.445 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.55 0.951 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.258 -179.871 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.56 1.356 0 CA-C-O 121.666 0.746 . . . . 25.0 111.32 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.77 -18.33 64.83 Favored 'General case' 0 CA--C 1.567 1.613 0 O-C-N 121.572 -0.705 . . . . 25.0 112.29 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.2 -39.82 68.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 175.087 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.74 -40.18 78.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 114.71 -1.132 . . . . 25.0 108.038 -177.249 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -58.95 -46.24 88.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.969 -1.014 . . . . 25.0 109.41 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.81 85.98 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 124.345 1.028 . . . . 25.0 110.404 -176.443 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -38.1 87.68 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.962 0.905 . . . . 25.0 109.465 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -66.28 -43.93 84.99 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.615 0.572 . . . . 25.0 111.213 173.176 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.67 -41.19 98.21 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 120.346 -0.542 . . . . 25.0 112.454 -179.452 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.6 -31.19 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -178.236 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -18.08 58.16 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 175.171 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.78 174.78 36.7 Favored Glycine 0 C--O 1.194 -2.398 0 CA-C-N 114.786 -1.097 . . . . 25.0 113.16 177.479 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.88 -13.4 59.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 118.946 1.373 . . . . 25.0 110.722 174.61 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -68.6 -28.34 66.84 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.491 178.15 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.26 178.53 50.75 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-O 122.492 1.051 . . . . 25.0 115.088 172.41 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.425 -1.724 0 N-CA-C 105.99 -1.856 . . . . 25.0 105.99 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.525 0 N-CA-C 117.59 1.796 . . . . 25.0 117.59 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp -59.67 -43.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 113.696 -1.252 . . . . 25.0 109.832 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.3 t -59.62 -48.61 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.773 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.11 -43.69 94.53 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 123.116 0.567 . . . . 25.0 111.575 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -67.44 -41.12 85.25 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 119.454 -0.899 . . . . 25.0 110.131 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -81.0 -8.98 59.89 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.663 -1.273 . . . . 25.0 112.134 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.05 -36.99 69.75 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -102.76 -0.14 31.98 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -146.71 157.76 43.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.885 -0.598 . . . . 25.0 110.103 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.89 137.92 22.66 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.0 m -133.87 89.67 2.61 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 122.037 0.922 . . . . 25.0 111.097 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.0 p -69.35 163.0 26.13 Favored 'General case' 0 CA--C 1.493 -1.247 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.54 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.56 -28.46 20.97 Favored 'General case' 1 C--O 1.312 4.358 0 O-C-N 119.068 -2.27 . . . . 25.0 113.384 170.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -64.34 -42.69 96.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.692 -1.88 . . . . 25.0 111.663 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -72.41 -41.49 66.18 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 113.865 -1.516 . . . . 25.0 112.731 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.76 -27.84 66.87 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.909 1.078 . . . . 25.0 113.909 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.45 -29.49 64.25 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 113.917 1.081 . . . . 25.0 113.917 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.02 -20.71 65.03 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.974 -1.079 . . . . 25.0 111.295 -175.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -90.04 -7.38 54.03 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 122.267 -0.27 . . . . 25.0 111.249 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.29 11.06 33.9 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 115.455 -0.793 . . . . 25.0 111.427 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t30 . . . . . 0 CA--C 1.564 1.488 0 CA-C-O 124.347 2.022 . . . . 25.0 109.616 -179.07 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.24 139.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 121.351 -0.843 . . . . 25.0 109.832 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -100.98 75.71 1.7 Allowed 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 105.778 -1.934 . . . . 25.0 105.778 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.19 -164.33 1.36 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.746 -1.205 . . . . 25.0 107.746 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -75.69 146.69 39.98 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -127.53 95.01 4.12 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t -93.55 -51.52 4.91 Favored 'General case' 0 CA--C 1.584 2.261 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 173.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.53 3.561 0 C-N-CA 126.418 1.887 . . . . 25.0 112.792 178.449 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.5 t -55.66 -19.89 12.17 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.436 1.494 . . . . 25.0 111.714 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -54.71 -32.07 59.04 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 115.072 -0.967 . . . . 25.0 113.058 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.66 -44.18 87.12 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 119.413 -0.327 . . . . 25.0 110.737 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.2 t -68.92 -40.27 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 122.395 1.093 . . . . 25.0 109.722 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.97 -46.83 89.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.98 -1.075 . . . . 25.0 111.763 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.91 91.83 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.272 1.034 . . . . 25.0 113.356 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.62 -42.32 95.58 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.923 -1.111 . . . . 25.0 109.476 175.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.5 -35.62 79.94 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.835 -1.079 . . . . 25.0 111.054 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.42 -39.92 81.41 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 119.325 -0.95 . . . . 25.0 112.865 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.34 -31.97 16.43 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 C-N-CA 119.3 -0.96 . . . . 25.0 112.081 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -29.39 41.62 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.49 -55.24 4.08 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 118.216 -1.324 . . . . 25.0 113.661 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -123.14 42.75 3.12 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.73 1.752 . . . . 25.0 115.73 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 54.06 40.29 31.47 Favored 'General case' 0 C--O 1.189 -2.08 0 N-CA-C 116.031 1.863 . . . . 25.0 116.031 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.26 44.16 3.0 Favored Glycine 0 C--O 1.212 -1.221 0 O-C-N 120.921 -1.112 . . . . 25.0 113.753 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -150.94 166.92 29.17 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.32 171.11 14.87 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 t80 107.12 138.0 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 128.485 2.714 . . . . 25.0 113.428 169.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -150.55 165.88 31.95 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 103.199 -2.889 . . . . 25.0 103.199 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -56.25 120.6 36.25 Favored Pre-proline 0 CA--C 1.584 2.257 0 O-C-N 122.195 -0.316 . . . . 25.0 110.325 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.78 98.58 1.22 Allowed 'Trans proline' 0 CA--C 1.579 2.741 0 C-N-CA 118.37 -0.62 . . . . 25.0 110.899 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.501 2.11 0 CA-C-O 124.412 2.053 . . . . 25.0 115.607 -178.099 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 118.135 2.014 . . . . 25.0 118.135 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.8 mt -53.77 -57.46 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.832 1.653 . . . . 25.0 112.042 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.38 -47.46 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 119.069 -2.269 . . . . 25.0 110.594 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.18 -40.38 89.77 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 118.891 -0.576 . . . . 25.0 112.487 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -71.56 -39.3 70.71 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.674 0.75 . . . . 25.0 112.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -80.75 -52.68 7.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.553 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.2 t -72.42 -18.83 61.68 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.523 0.935 . . . . 25.0 113.523 -172.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -74.48 -10.26 59.39 Favored 'General case' 0 C--O 1.246 0.882 0 O-C-N 120.449 -1.407 . . . . 25.0 113.271 -174.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.53 -168.98 3.26 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -70.24 129.58 34.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 166.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.17 137.33 40.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.009 0.923 . . . . 25.0 109.147 -174.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -113.76 155.81 24.96 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 119.576 1.08 . . . . 25.0 113.591 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.06 -29.95 71.06 Favored 'General case' 1 C--O 1.318 4.709 0 CA-C-O 122.561 1.172 . . . . 25.0 112.46 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 119.5 -2.0 . . . . 25.0 110.389 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.35 -41.73 72.77 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 119.71 -1.868 . . . . 25.0 112.54 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.259 -1.525 . . . . 25.0 113.511 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -61.54 -22.2 64.94 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 118.502 -0.761 . . . . 25.0 110.463 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.55 -21.58 65.67 Favored 'General case' 0 C--O 1.205 -1.248 0 CA-C-N 120.052 1.296 . . . . 25.0 110.165 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.86 14.23 24.36 Favored 'General case' 0 C--O 1.26 1.643 0 O-C-N 123.761 0.663 . . . . 25.0 111.597 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 150.52 42.3 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.026 -0.988 . . . . 25.0 110.555 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.1 p30 . . . . . 0 C--O 1.204 -1.337 0 O-C-N 125.402 1.689 . . . . 25.0 112.793 177.678 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 C--O 1.207 -1.14 0 CA-C-O 120.958 0.409 . . . . 25.0 111.651 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.1 133.75 30.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -76.84 129.25 35.97 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 122.808 1.29 . . . . 25.0 112.145 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.39 173.63 13.8 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -76.77 -16.92 59.33 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.012 -0.995 . . . . 25.0 110.871 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 mt 48.48 59.13 4.54 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.018 0.927 . . . . 25.0 112.589 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 m -98.7 167.07 11.01 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.286 0 C-N-CA 127.248 2.219 . . . . 25.0 112.592 179.741 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -53.44 -31.73 46.71 Favored 'General case' 0 C--N 1.373 1.607 0 O-C-N 119.106 -2.246 . . . . 25.0 112.738 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -74.49 -29.04 61.27 Favored 'General case' 0 C--O 1.179 -2.607 0 O-C-N 121.395 -0.816 . . . . 25.0 109.612 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.56 -37.18 79.69 Favored 'General case' 0 C--O 1.194 -1.839 0 O-C-N 121.115 -0.991 . . . . 25.0 108.596 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.69 -43.62 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.341 -1.474 . . . . 25.0 107.29 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.61 -42.14 91.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.094 -1.004 . . . . 25.0 111.797 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.14 90.85 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.303 0.641 . . . . 25.0 110.025 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.59 -42.34 96.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.028 0.442 . . . . 25.0 110.855 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -62.43 -42.3 99.34 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.399 -0.813 . . . . 25.0 111.078 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.32 -42.83 83.0 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.587 -0.845 . . . . 25.0 110.141 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -76.03 -29.62 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 118.042 -0.98 . . . . 25.0 112.198 -174.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -28.2 36.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 122.651 1.215 . . . . 25.0 109.002 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.66 -169.14 48.56 Favored Glycine 0 N--CA 1.439 -1.126 0 N-CA-C 108.881 -1.688 . . . . 25.0 108.881 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.29 -8.13 16.53 Favored 'General case' 0 C--O 1.259 1.583 0 O-C-N 121.626 -0.926 . . . . 25.0 113.219 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -56.56 -36.34 69.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.654 1.221 . . . . 25.0 108.132 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.82 168.16 33.97 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-O 123.443 1.579 . . . . 25.0 113.275 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -128.92 1.87 5.34 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -76.31 142.32 41.33 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 122.484 1.135 . . . . 25.0 110.846 -159.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -72.12 -31.11 65.72 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.79 111.48 8.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.339 -0.846 . . . . 25.0 109.11 175.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -81.57 141.55 48.79 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 115.661 -0.699 . . . . 25.0 111.015 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -79.39 75.74 4.9 Favored 'Trans proline' 0 C--N 1.375 1.924 0 CA-C-O 123.704 1.46 . . . . 25.0 113.537 -172.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.414 -2.241 0 CA-C-O 126.362 2.982 . . . . 25.0 111.004 174.349 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.313 0 CA-C-O 124.153 1.974 . . . . 25.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.0 mt -52.54 -62.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.576 0 CA-C-N 111.864 -2.168 . . . . 25.0 112.511 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.25 -43.0 97.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 107.767 -1.197 . . . . 25.0 107.767 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.68 -49.15 77.66 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.199 -173.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.13 -42.88 65.52 Favored 'General case' 0 C--O 1.241 0.653 0 O-C-N 119.907 -1.746 . . . . 25.0 107.644 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.29 -20.93 65.91 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.841 0.746 . . . . 25.0 111.893 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -96.16 -43.8 7.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.885 -0.509 . . . . 25.0 110.946 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -69.46 -21.78 63.69 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 122.991 1.377 . . . . 25.0 113.168 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.5 m -128.88 170.96 12.77 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.247 -1.533 . . . . 25.0 107.831 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.4 mm -63.42 134.86 28.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 105.583 -2.006 . . . . 25.0 105.583 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -120.25 81.32 1.73 Allowed 'General case' 0 C--O 1.244 0.773 0 CA-C-O 122.693 1.235 . . . . 25.0 111.919 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -64.86 167.73 7.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.565 1.174 . . . . 25.0 113.83 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 mt -58.34 -38.69 77.69 Favored 'General case' 1 C--O 1.335 5.566 0 O-C-N 120.145 -1.597 . . . . 25.0 112.809 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.84 -36.52 72.42 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 118.304 -2.748 . . . . 25.0 113.221 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -76.15 -45.15 34.96 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 119.362 -0.935 . . . . 25.0 108.523 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.45 -36.74 34.76 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.105 1.15 . . . . 25.0 114.105 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -60.34 -30.96 69.87 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.75 -16.15 63.26 Favored 'General case' 0 C--O 1.2 -1.518 0 C-N-CA 119.434 -0.906 . . . . 25.0 113.232 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -96.47 3.93 52.44 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 121.168 0.508 . . . . 25.0 111.104 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -94.41 -153.15 0.37 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.228 1.013 . . . . 25.0 108.659 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 N--CA 1.502 2.127 0 O-C-N 117.758 -3.089 . . . . 25.0 113.583 -179.387 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 115.027 1.492 . . . . 25.0 115.027 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.29 139.98 37.4 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -78.01 85.99 4.21 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 124.432 1.082 . . . . 25.0 109.524 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -154.57 -175.34 5.36 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -71.35 146.49 48.77 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 120.91 -1.119 . . . . 25.0 108.607 175.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.66 111.03 15.72 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 124.557 1.161 . . . . 25.0 109.159 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.25 160.72 32.08 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 121.018 0.437 . . . . 25.0 110.246 -173.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.453 0 C-N-CA 125.478 1.511 . . . . 25.0 112.147 177.875 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t -50.35 -34.55 24.38 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.819 1.248 . . . . 25.0 111.658 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -63.72 -33.1 74.9 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 119.89 -0.724 . . . . 25.0 112.603 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.77 -46.03 66.7 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 106.83 -1.545 . . . . 25.0 106.83 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.25 -50.63 77.77 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 O-C-N 121.27 -0.894 . . . . 25.0 110.142 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.626 -0.715 . . . . 25.0 110.565 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.84 82.93 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.409 1.1 . . . . 25.0 109.908 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.56 -41.28 98.41 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.824 -1.08 . . . . 25.0 113.102 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.71 -35.2 80.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.489 0.661 . . . . 25.0 111.941 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.7 mt -68.75 -47.76 65.45 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-O 121.453 0.644 . . . . 25.0 112.571 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -74.56 -34.86 36.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 118.277 -1.369 . . . . 25.0 110.807 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -82.57 -21.09 35.38 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 121.635 -0.666 . . . . 25.0 109.598 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 179.58 46.31 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 123.207 1.448 . . . . 25.0 113.06 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -72.26 -0.83 13.19 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 121.479 -1.012 . . . . 25.0 112.766 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -27.32 64.36 Favored 'General case' 0 C--O 1.204 -1.299 0 O-C-N 125.871 1.982 . . . . 25.0 108.437 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 164.43 38.01 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 114.117 -1.401 . . . . 25.0 115.97 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -124.32 165.88 16.9 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.48 -1.674 . . . . 25.0 106.48 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.01 -165.07 0.99 Allowed 'General case' 0 C--O 1.255 1.367 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.807 -172.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.7 t80 52.88 64.24 1.94 Allowed 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 122.374 1.083 . . . . 25.0 113.86 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 40.8 p -131.36 161.26 32.8 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -102.98 115.1 64.68 Favored Pre-proline 0 C--O 1.224 -0.273 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -72.02 115.83 4.47 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 117.852 -0.965 . . . . 25.0 109.747 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 124.636 2.16 . . . . 25.0 110.037 -175.394 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 114.347 0.499 . . . . 25.0 114.347 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.4 mt -61.35 -43.7 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -172.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.21 -43.51 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-O 121.772 0.796 . . . . 25.0 109.983 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -72.06 -39.25 69.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.471 -1.393 . . . . 25.0 112.367 -175.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.05 -41.73 94.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 125.414 1.697 . . . . 25.0 113.232 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -85.67 -51.25 6.58 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.63 -16.53 61.18 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -72.06 -5.21 33.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.932 -1.105 . . . . 25.0 113.715 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.7 p -139.96 -175.59 4.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 105.73 -1.952 . . . . 25.0 105.73 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.62 124.61 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 104.629 -2.36 . . . . 25.0 104.629 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.43 150.13 36.78 Favored 'General case' 0 CA--C 1.484 -1.56 0 CA-C-N 114.335 -1.302 . . . . 25.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -135.1 148.99 49.97 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 113.351 -1.75 . . . . 25.0 110.65 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.0 mm? -61.58 -33.43 73.87 Favored 'General case' 1 C--O 1.313 4.435 0 CA-C-O 124.726 2.203 . . . . 25.0 113.487 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.71 -40.04 95.93 Favored 'General case' 0 C--N 1.324 -0.517 1 O-C-N 115.625 -4.422 . . . . 25.0 112.452 171.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -72.23 -41.76 66.48 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 119.229 -2.17 . . . . 25.0 109.167 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.72 -29.11 64.46 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 114.322 1.23 . . . . 25.0 114.322 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.36 -25.84 67.43 Favored 'General case' 0 N--CA 1.439 -1.01 0 O-C-N 123.331 0.395 . . . . 25.0 111.821 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.72 -19.21 63.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.677 -0.639 . . . . 25.0 112.153 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.48 -2.39 36.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.67 164.85 18.36 Favored 'General case' 0 C--O 1.197 -1.679 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 CA--C 1.572 1.818 0 CA-C-O 124.258 1.98 . . . . 25.0 114.358 -172.517 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 122.095 0.95 . . . . 25.0 113.292 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t 62.83 102.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 126.098 1.759 . . . . 25.0 112.491 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -87.94 59.18 5.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.152 -1.386 . . . . 25.0 111.588 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.39 -165.13 1.96 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.617 -0.677 . . . . 25.0 109.977 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -77.83 93.82 4.41 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.48 122.19 26.13 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -133.74 167.66 20.12 Favored 'General case' 0 C--O 1.261 1.699 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -177.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 1.922 0 C-N-CA 127.214 2.206 . . . . 25.0 109.096 177.232 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -52.41 -33.89 45.86 Favored 'General case' 0 C--O 1.197 -1.69 0 C-N-CA 125.928 1.691 . . . . 25.0 111.479 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -68.69 -33.14 73.45 Favored 'General case' 0 C--O 1.187 -2.218 0 C-N-CA 119.582 -0.847 . . . . 25.0 111.176 -174.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.48 -38.4 74.39 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 122.434 1.111 . . . . 25.0 109.734 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.53 -44.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 120.964 -1.085 . . . . 25.0 108.648 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.25 -42.43 99.19 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 118.966 -0.54 . . . . 25.0 109.81 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.42 95.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.69 97.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -65.4 -35.34 80.65 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 123.409 1.576 . . . . 25.0 113.877 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -72.39 -38.69 68.41 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 113.906 -1.497 . . . . 25.0 110.567 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -82.42 -34.62 12.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 119.31 -0.956 . . . . 25.0 112.56 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.72 -35.51 38.81 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 119.34 0.973 . . . . 25.0 110.038 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.76 173.63 14.52 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 120.457 -0.877 . . . . 25.0 112.892 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.79 -16.76 63.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.799 1.037 . . . . 25.0 113.799 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -76.64 -0.01 21.87 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 122.213 -0.304 . . . . 25.0 110.455 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -176.77 54.58 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 110.082 -1.207 . . . . 25.0 110.082 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -120.72 -41.94 2.55 Favored 'General case' 0 C--O 1.194 -1.833 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -154.66 161.42 41.58 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 108.623 -0.881 . . . . 25.0 108.623 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -123.79 134.57 53.61 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 105.893 -1.891 . . . . 25.0 105.893 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.0 t -142.78 158.73 43.35 Favored 'General case' 0 C--O 1.269 2.095 0 N-CA-C 106.669 -1.604 . . . . 25.0 106.669 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -96.2 116.01 65.92 Favored Pre-proline 0 N--CA 1.479 1.006 0 CA-C-O 119.185 -0.436 . . . . 25.0 111.435 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.84 108.88 2.75 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 117.811 -0.993 . . . . 25.0 111.882 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.176 -2.783 0 CA-C-O 125.645 2.641 . . . . 25.0 114.683 -176.619 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.14 0 CA-C-O 121.564 0.536 . . . . 25.0 111.925 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.17 -51.36 63.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.517 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.01 -31.8 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 CA-C-N 115.263 -0.881 . . . . 25.0 112.494 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.9 -36.79 72.87 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 108.031 -1.099 . . . . 25.0 108.031 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -70.56 -41.84 71.92 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -100.08 -22.15 15.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 120.533 3.531 . . . . 25.0 120.533 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.33 -11.97 59.97 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.538 -1.351 . . . . 25.0 109.012 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -121.32 151.54 39.97 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.842 -1.161 . . . . 25.0 108.067 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t 48.33 -148.14 0.22 Allowed 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.716 -171.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.5 112.8 21.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 105.692 -1.966 . . . . 25.0 105.692 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.1 p -83.7 159.43 21.51 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.271 0.357 . . . . 25.0 110.621 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -102.2 153.73 19.69 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 121.293 0.568 . . . . 25.0 112.144 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 mt -67.81 -19.77 65.11 Favored 'General case' 1 C--O 1.325 5.043 0 N-CA-C 106.67 -1.604 . . . . 25.0 106.67 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -63.3 -43.81 96.79 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.367 -3.333 . . . . 25.0 110.584 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -68.05 -40.94 82.7 Favored 'General case' 0 C--O 1.172 -3.0 0 CA-C-N 114.254 -1.339 . . . . 25.0 110.824 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.17 -39.39 82.37 Favored 'General case' 0 C--O 1.182 -2.495 0 O-C-N 120.759 -1.213 . . . . 25.0 109.827 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.64 -20.95 66.59 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.326 -0.858 . . . . 25.0 112.806 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -71.84 -16.64 62.16 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.547 -0.739 . . . . 25.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -85.98 -6.62 59.02 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 118.702 0.683 . . . . 25.0 110.093 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.3 m -76.06 167.26 22.19 Favored 'General case' 0 C--O 1.197 -1.697 0 CA-C-O 123.99 1.852 . . . . 25.0 106.635 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.506 2.371 0 CA-C-O 125.248 2.451 . . . . 25.0 115.688 174.814 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.0 t -91.35 118.48 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -108.93 128.56 55.04 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 114.732 -1.122 . . . . 25.0 112.145 -170.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -133.9 -155.35 0.66 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.296 -1.32 . . . . 25.0 108.46 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -85.69 75.95 10.02 Favored 'General case' 0 CA--C 1.466 -2.257 0 C-N-CA 123.029 0.531 . . . . 25.0 109.907 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.13 125.52 25.24 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 107.694 -1.225 . . . . 25.0 107.694 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.2 t -138.94 -58.84 0.6 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.532 3.66 0 C-N-CA 126.94 2.096 . . . . 25.0 111.152 -177.704 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -51.46 -30.25 19.13 Favored 'General case' 0 C--N 1.38 1.928 0 N-CA-C 115.369 1.618 . . . . 25.0 115.369 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -63.62 -27.67 69.39 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 120.372 -1.455 . . . . 25.0 112.073 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.75 -42.13 91.29 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 108.215 -1.032 . . . . 25.0 108.215 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.8 t -66.85 -43.76 89.42 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.421 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -62.68 -39.74 94.92 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.402 -0.811 . . . . 25.0 110.453 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.97 84.46 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 118.432 0.56 . . . . 25.0 109.966 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -41.65 77.64 Favored 'General case' 0 C--O 1.206 -1.189 0 CA-C-O 121.169 0.509 . . . . 25.0 110.615 176.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -63.93 -43.16 96.73 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 119.578 -0.849 . . . . 25.0 112.092 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 mt -59.6 -47.05 87.09 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.454 0.645 . . . . 25.0 110.779 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.74 -28.27 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 O-C-N 120.507 -1.371 . . . . 25.0 112.053 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -85.75 -22.37 27.77 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 -173.15 50.27 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-O 124.816 2.342 . . . . 25.0 109.737 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -68.49 -11.0 59.2 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 112.823 -1.689 . . . . 25.0 109.371 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.8 mmm-85 -60.46 -31.61 70.61 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 122.439 1.114 . . . . 25.0 111.897 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.01 156.27 31.37 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 117.562 -1.688 . . . . 25.0 112.933 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -128.69 0.67 5.48 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 124.067 1.889 . . . . 25.0 110.836 -175.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -90.26 164.76 14.26 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 113.264 -1.789 . . . . 25.0 108.854 -169.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.46 142.57 42.02 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 115.62 -0.718 . . . . 25.0 111.582 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.9 p 62.79 131.41 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 117.376 2.362 . . . . 25.0 117.376 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -117.53 157.3 47.96 Favored Pre-proline 0 C--O 1.253 1.252 0 N-CA-C 105.587 -2.005 . . . . 25.0 105.587 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.09 102.71 1.62 Allowed 'Trans proline' 0 C--O 1.254 1.285 0 C-N-CA 121.102 1.201 . . . . 25.0 111.44 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.486 1.373 0 O-C-N 119.997 -1.689 . . . . 25.0 112.886 -172.299 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.006 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.444 ' H ' HG13 ' A' ' 2' ' ' ILE . 6.5 mt -57.6 -46.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 CA-C-O 121.004 0.43 . . . . 25.0 111.291 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -71.54 -31.51 42.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 CA-C-O 121.746 0.784 . . . . 25.0 112.66 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -64.63 -50.87 65.42 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -65.36 -40.31 93.43 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -79.85 -16.38 55.54 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.15 -38.07 10.31 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 120.69 -1.256 . . . . 25.0 113.102 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -75.14 -22.53 58.09 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 122.137 -0.352 . . . . 25.0 111.074 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.7 p -153.05 162.92 40.75 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 123.505 0.722 . . . . 25.0 110.334 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.72 95.11 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -68.37 150.82 47.72 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.655 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -92.95 147.56 22.74 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 121.603 0.716 . . . . 25.0 111.355 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.6 mt -55.83 -39.55 71.57 Favored 'General case' 1 C--O 1.34 5.829 0 CA-C-N 115.696 -0.684 . . . . 25.0 112.225 174.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -58.27 -35.16 71.34 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 118.562 -2.586 . . . . 25.0 114.168 171.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.03 -37.76 78.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.275 -1.515 . . . . 25.0 111.641 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -34.94 78.86 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.275 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -60.88 -19.28 59.98 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 114.836 1.421 . . . . 25.0 114.836 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -70.87 -16.39 62.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.016 0.913 . . . . 25.0 111.925 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -106.96 14.81 26.06 Favored 'General case' 0 CA--C 1.492 -1.252 0 C-N-CA 124.663 1.185 . . . . 25.0 108.258 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.64 -177.24 4.39 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 102.817 -3.031 . . . . 25.0 102.817 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--O 1.189 -2.081 0 CA-C-O 124.727 2.203 . . . . 25.0 111.735 179.66 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.5 t80 . . . . . 0 CA--C 1.483 -1.616 0 N-CA-C 115.676 1.732 . . . . 25.0 115.676 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.0 t -79.55 133.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 114.771 -1.104 . . . . 25.0 111.71 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -113.42 125.63 54.45 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 123.247 1.499 . . . . 25.0 109.745 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.77 -156.19 0.68 Allowed 'General case' 0 C--O 1.197 -1.69 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.67 93.38 2.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 106.397 -1.705 . . . . 25.0 106.397 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.81 78.41 7.59 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 121.469 -0.769 . . . . 25.0 112.081 -171.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 83.9 m -101.58 157.62 16.69 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-O 122.771 1.272 . . . . 25.0 107.953 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.548 4.428 0 C-N-CA 126.259 1.824 . . . . 25.0 111.86 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t -49.11 -41.76 36.91 Favored 'General case' 0 C--N 1.374 1.639 0 O-C-N 124.207 0.942 . . . . 25.0 112.569 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -67.58 -36.0 80.06 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 124.6 1.187 . . . . 25.0 111.486 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.04 -47.01 81.86 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 106.948 -1.501 . . . . 25.0 106.948 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.43 -46.71 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 CA-C-N 115.202 -0.908 . . . . 25.0 110.642 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -57.5 -44.85 85.31 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.204 0.94 . . . . 25.0 110.463 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.27 91.44 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 120.684 0.278 . . . . 25.0 111.322 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -56.7 -46.56 81.16 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.059 0.457 . . . . 25.0 110.066 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -61.81 -41.55 97.9 Favored 'General case' 0 C--O 1.191 -1.979 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.51 -33.15 68.96 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 119.408 -0.917 . . . . 25.0 112.875 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.28 -32.62 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 119.973 -1.704 . . . . 25.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.88 -39.97 29.36 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 119.126 -1.03 . . . . 25.0 110.322 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.87 178.55 17.33 Favored Glycine 0 C--O 1.248 0.969 0 CA-C-O 122.445 1.025 . . . . 25.0 111.947 -175.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.63 -13.22 62.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.95 -0.625 . . . . 25.0 109.744 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -12.85 61.28 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 124.197 0.936 . . . . 25.0 109.991 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 173.92 46.73 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-O 123.832 1.796 . . . . 25.0 112.776 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -123.04 174.93 6.9 Favored 'General case' 0 C--O 1.206 -1.233 0 C-N-CA 125.592 1.557 . . . . 25.0 111.965 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -119.33 170.1 9.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.912 0.757 . . . . 25.0 110.321 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -111.53 92.49 4.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.891 -1.152 . . . . 25.0 107.891 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p 67.74 144.95 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 126.724 2.01 . . . . 25.0 113.615 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -72.58 142.52 83.94 Favored Pre-proline 0 N--CA 1.485 1.283 0 O-C-N 121.655 -0.653 . . . . 25.0 110.109 -175.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.54 89.28 1.21 Allowed 'Trans proline' 0 CA--C 1.554 1.509 0 C-N-CA 114.975 -2.883 . . . . 25.0 112.671 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.186 -2.251 0 CA-C-O 124.938 2.304 . . . . 25.0 113.66 -176.293 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.556 0 CA-C-O 125.792 2.884 . . . . 25.0 110.339 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mp -66.18 -46.82 86.55 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.076 0 CA-C-N 110.603 -2.799 . . . . 25.0 111.424 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.504 HG12 HD12 ' B' ' 11' ' ' LEU . 32.7 m -71.07 -32.89 49.5 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 O-C-N 121.043 -1.036 . . . . 25.0 110.22 -176.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -64.55 -47.04 80.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.514 -0.312 . . . . 25.0 110.646 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -66.49 -45.08 80.81 Favored 'General case' 0 CA--C 1.559 1.32 0 O-C-N 123.358 0.411 . . . . 25.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -71.38 -23.69 61.94 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.243 1.572 . . . . 25.0 115.243 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.54 -37.79 59.78 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 120.539 1.518 . . . . 25.0 112.727 172.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -86.12 -26.66 25.1 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.579 1.081 . . . . 25.0 113.166 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t -126.46 179.66 5.2 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 -171.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mm -89.8 131.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.4 m -113.35 87.32 2.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.824 0.85 . . . . 25.0 112.664 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.7 m -68.01 153.29 44.04 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.98 0.895 . . . . 25.0 110.546 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -52.59 -45.0 66.32 Favored 'General case' 1 C--O 1.324 4.995 0 O-C-N 119.644 -1.91 . . . . 25.0 109.942 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -55.01 -42.47 72.6 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 116.172 -4.08 . . . . 25.0 113.891 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.14 -38.0 78.58 Favored 'General case' 0 CA--C 1.559 1.31 0 O-C-N 119.831 -1.793 . . . . 25.0 112.008 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -60.2 -30.17 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.427 -0.796 . . . . 25.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.23 -23.84 62.66 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-O 119.157 -0.449 . . . . 25.0 110.909 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.35 -19.76 65.48 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.122 1.328 . . . . 25.0 112.418 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.6 -3.7 35.65 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.553 0.692 . . . . 25.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -70.38 158.92 35.1 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 121.875 0.845 . . . . 25.0 109.942 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.508 2.46 0 CA-C-O 124.966 2.317 . . . . 25.0 113.532 174.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 N--CA 1.517 2.876 0 N-CA-C 117.786 2.513 . . . . 25.0 117.786 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.8 t -83.16 123.71 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.605 -1.309 . . . . 25.0 111.178 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -82.86 125.2 31.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.735 0.778 . . . . 25.0 112.491 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.62 -162.87 0.91 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 -175.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -61.61 150.31 36.63 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 172.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -141.05 128.85 21.67 Favored 'General case' 0 C--O 1.198 -1.627 0 C-N-CA 123.59 0.756 . . . . 25.0 109.372 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m -142.23 -166.28 2.21 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.612 3.346 0 C-N-CA 125.235 1.414 . . . . 25.0 111.567 179.594 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -64.23 -28.87 70.03 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 114.559 -1.201 . . . . 25.0 109.087 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -54.98 -37.37 66.46 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 116.593 -1.67 . . . . 25.0 111.766 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.504 HD12 HG12 ' A' ' 3' ' ' VAL . 1.8 tm? -66.01 -44.89 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 120.195 1.361 . . . . 25.0 108.456 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.26 -49.07 85.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.117 0.484 . . . . 25.0 109.741 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -43.04 98.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.404 -0.362 . . . . 25.0 110.712 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.65 92.48 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 121.59 -0.693 . . . . 25.0 109.324 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.44 -42.1 98.23 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.86 -42.56 97.51 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.235 -0.915 . . . . 25.0 110.711 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.36 -42.39 79.26 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -72.88 -33.15 42.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.407 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -77.02 -36.29 56.33 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 114.028 1.122 . . . . 25.0 114.028 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.17 -177.61 20.32 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 125.01 2.45 . . . . 25.0 114.622 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.52 -14.16 60.44 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 112.349 -1.926 . . . . 25.0 111.709 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -17.81 61.77 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 116.007 -0.542 . . . . 25.0 112.226 174.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.0 -163.57 24.83 Favored Glycine 0 C--O 1.202 -1.882 0 C-N-CA 117.66 -2.209 . . . . 25.0 114.841 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -148.37 153.22 38.29 Favored 'General case' 0 C--O 1.186 -2.263 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.88 27.69 8.55 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-O 121.489 0.662 . . . . 25.0 110.148 -170.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.11 4.45 14.62 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 114.416 -1.265 . . . . 25.0 111.008 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t -142.55 52.3 1.43 Allowed 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 122.808 1.29 . . . . 25.0 111.348 -173.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -78.39 131.4 68.78 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 114.65 -1.159 . . . . 25.0 111.873 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -80.53 87.3 1.53 Allowed 'Trans proline' 0 C--N 1.377 2.078 0 CA-C-O 122.732 1.055 . . . . 25.0 111.276 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 N--CA 1.506 2.337 0 C-N-CA 126.018 1.727 . . . . 25.0 115.022 -171.869 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.449 0 CA-C-O 124.473 2.152 . . . . 25.0 112.707 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.408 HG12 ' H ' ' A' ' 2' ' ' ILE . 0.8 OUTLIER -56.41 -46.97 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 113.841 -1.18 . . . . 25.0 113.299 -173.578 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -78.34 -28.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 118.543 -1.263 . . . . 25.0 110.852 -174.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.88 -39.34 83.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.961 -1.126 . . . . 25.0 107.961 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -72.61 -35.33 67.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.738 -0.602 . . . . 25.0 111.852 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.15 -45.79 31.82 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 114.299 1.222 . . . . 25.0 114.299 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.94 -17.67 62.06 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 115.766 1.765 . . . . 25.0 115.766 -169.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -79.57 -4.53 51.92 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 119.979 -0.688 . . . . 25.0 109.806 -174.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 t -150.78 -158.95 0.97 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 100.846 -3.761 . . . . 25.0 100.846 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -120.88 99.38 7.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 101.265 -3.606 . . . . 25.0 101.265 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.22 156.36 38.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.35 -0.841 . . . . 25.0 111.354 -174.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 p -103.67 157.91 16.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 122.648 1.213 . . . . 25.0 111.524 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.04 -35.22 79.53 Favored 'General case' 1 C--O 1.35 6.356 0 O-C-N 120.287 -1.508 . . . . 25.0 107.643 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -54.95 -43.76 73.7 Favored 'General case' 0 C--O 1.196 -1.755 0 C-N-CA 128.4 2.68 . . . . 25.0 111.331 171.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.46 -38.26 71.29 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 119.652 -1.905 . . . . 25.0 110.071 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.18 -26.09 68.14 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.52 -27.48 66.22 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 25.0 111.361 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.14 -16.75 63.72 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -93.3 -7.43 44.96 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.58 0.705 . . . . 25.0 110.014 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -87.53 -30.71 20.37 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.068 -2.197 . . . . 25.0 105.068 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.363 1.159 0 O-C-N 118.965 -2.335 . . . . 25.0 112.626 -169.126 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 . . . . . 0 C--O 1.209 -1.056 0 CA-C-O 126.634 3.111 . . . . 25.0 114.171 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.36 137.79 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 110.788 -2.914 . . . . 25.0 107.835 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -76.55 21.13 0.2 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -77.71 -176.89 4.57 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.137 -0.938 . . . . 25.0 109.406 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -70.31 -9.15 55.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.608 0.966 . . . . 25.0 113.608 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt 51.44 63.3 2.3 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.536 0.939 . . . . 25.0 113.536 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -101.62 161.09 13.9 Favored 'General case' 0 C--O 1.274 2.352 0 N-CA-C 113.661 0.985 . . . . 25.0 113.661 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.157 0 CA-C-O 123.1 1.428 . . . . 25.0 110.063 174.318 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t -59.83 -33.28 71.56 Favored 'General case' 0 C--N 1.379 1.852 0 O-C-N 117.949 -2.969 . . . . 25.0 113.206 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -69.93 -31.08 68.65 Favored 'General case' 0 C--O 1.207 -1.164 0 O-C-N 121.59 -0.694 . . . . 25.0 109.72 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.09 -49.14 68.62 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.928 -1.878 . . . . 25.0 105.928 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 t -66.02 -37.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.027 -0.269 . . . . 25.0 110.768 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.95 -47.29 81.05 Favored 'General case' 0 CA--C 1.561 1.37 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.56 99.56 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 122.086 -0.384 . . . . 25.0 110.931 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -43.5 96.87 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 118.439 -0.791 . . . . 25.0 110.528 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -63.76 -42.14 97.86 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.44 -37.48 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.4 -28.28 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 122.638 1.209 . . . . 25.0 112.866 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.35 -39.38 25.17 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.074 -0.966 . . . . 25.0 112.105 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.45 -147.96 17.34 Favored Glycine 0 C--O 1.19 -2.601 0 CA-C-O 124.382 2.101 . . . . 25.0 111.176 -172.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.12 79.64 1.75 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.845 -1.678 . . . . 25.0 110.974 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 43.11 58.34 3.35 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 125.684 1.865 . . . . 25.0 113.27 172.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.42 24.99 9.91 Favored Glycine 0 C--O 1.196 -2.265 0 N-CA-C 110.278 -1.129 . . . . 25.0 110.278 172.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -149.59 169.63 20.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -123.96 164.73 18.72 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 122.242 1.02 . . . . 25.0 110.141 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -74.29 -40.1 62.5 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 173.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -161.99 165.14 27.83 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 105.579 -2.008 . . . . 25.0 105.579 172.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -132.96 133.05 22.77 Favored Pre-proline 0 N--CA 1.475 0.807 0 CA-C-N 115.571 -0.741 . . . . 25.0 111.235 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -74.19 103.65 1.71 Allowed 'Trans proline' 0 CA--C 1.554 1.487 0 C-N-CA 115.21 -2.726 . . . . 25.0 111.072 173.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 125.92 2.772 . . . . 25.0 114.152 -179.211 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.537 5.42 0 CA-C-O 123.711 1.728 . . . . 25.0 112.761 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.62 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 CA-C-N 113.95 -1.125 . . . . 25.0 111.447 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.72 -33.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 122.311 1.053 . . . . 25.0 113.119 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -38.78 92.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.439 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -83.96 -35.41 23.99 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.687 0.995 . . . . 25.0 113.687 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.4 -16.17 18.49 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 116.637 2.088 . . . . 25.0 116.637 -175.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.65 -0.93 57.2 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.464 -1.398 . . . . 25.0 108.365 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -117.97 160.78 20.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 51.22 -153.66 0.17 Allowed 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 123.932 0.893 . . . . 25.0 112.036 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.7 mm -110.34 117.31 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.55 113.08 3.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.754 -1.202 . . . . 25.0 107.754 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -104.39 154.69 19.53 Favored 'General case' 0 C--O 1.199 -1.605 0 CA-C-O 121.875 0.845 . . . . 25.0 112.292 -173.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.3 mt -58.27 -38.23 76.54 Favored 'General case' 1 C--O 1.308 4.135 0 O-C-N 119.414 -2.054 . . . . 25.0 111.897 -175.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.99 -42.31 97.23 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 123.374 1.559 . . . . 25.0 109.1 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -65.1 -47.37 77.47 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.339 -1.755 . . . . 25.0 108.62 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt -55.43 -40.12 71.1 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.933 0.77 . . . . 25.0 112.943 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -63.61 -25.11 68.08 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 117.674 -1.155 . . . . 25.0 112.728 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -70.65 -31.76 68.81 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 119.913 1.233 . . . . 25.0 108.123 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -78.64 -7.55 57.75 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 113.499 0.926 . . . . 25.0 113.499 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t -77.94 -19.22 54.99 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--O 1.207 -1.136 0 CA-C-O 125.366 2.508 . . . . 25.0 111.328 -175.686 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 CA--C 1.557 1.248 0 CA-C-O 125.653 2.644 . . . . 25.0 114.8 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -114.77 126.08 72.24 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.542 0 C-N-CA 128.335 2.654 . . . . 25.0 108.31 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.89 131.14 55.56 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -165.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 105.171 -2.159 . . . . 25.0 105.171 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -64.77 137.29 57.7 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 104.916 -2.253 . . . . 25.0 104.916 165.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.26 128.45 43.26 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.979 0.8 . . . . 25.0 112.152 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.7 163.43 26.15 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 124.391 1.057 . . . . 25.0 109.408 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.775 0 C-N-CA 126.189 1.796 . . . . 25.0 112.876 171.703 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -47.22 -35.84 8.1 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 125.141 1.376 . . . . 25.0 113.174 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.47 -41.67 98.94 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 120.868 -1.145 . . . . 25.0 113.067 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.25 -38.76 78.62 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 115.266 -0.879 . . . . 25.0 109.027 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.82 -43.9 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 119.808 -0.757 . . . . 25.0 110.481 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -40.55 95.07 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.111 -0.636 . . . . 25.0 111.91 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.87 95.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -42.27 95.56 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-N 118.038 0.381 . . . . 25.0 110.153 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.47 -42.39 96.15 Favored 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.08 -40.81 98.76 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 121.03 -1.044 . . . . 25.0 112.419 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.2 t -64.09 -43.68 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.871 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 -9.41 57.16 Favored 'General case' 0 C--O 1.27 2.143 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.52 -158.15 53.59 Favored Glycine 0 N--CA 1.429 -1.794 0 N-CA-C 109.297 -1.521 . . . . 25.0 109.297 -174.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.26 6.59 9.51 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.219 -1.166 . . . . 25.0 112.665 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -78.95 -26.99 43.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.405 0.548 . . . . 25.0 110.902 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 -176.04 51.47 Favored Glycine 0 N--CA 1.485 1.906 0 C-N-CA 120.047 -1.073 . . . . 25.0 114.622 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -141.71 16.79 2.16 Favored 'General case' 0 C--O 1.247 0.958 0 C-N-CA 124.413 1.085 . . . . 25.0 113.64 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -90.56 137.98 31.93 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -77.66 -48.33 17.07 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 105.301 -2.111 . . . . 25.0 105.301 167.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -145.18 142.68 29.8 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-N 115.135 -0.939 . . . . 25.0 108.489 171.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -85.14 115.52 61.53 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 103.189 -2.893 . . . . 25.0 103.189 173.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.6 115.64 2.68 Favored 'Trans proline' 0 C--O 1.193 -1.729 0 C-N-CA 117.825 -0.983 . . . . 25.0 113.96 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.311 -1.074 0 CA-C-O 122.901 1.334 . . . . 25.0 110.251 -177.259 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.288 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.426 ' H ' HG13 ' A' ' 2' ' ' ILE . 9.9 mt -60.03 -41.53 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.207 -1.172 . . . . 25.0 110.843 -172.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.5 t -61.43 -54.26 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-O 118.249 -0.881 . . . . 25.0 109.133 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.48 -44.12 95.32 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.944 0.777 . . . . 25.0 110.84 -173.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -67.9 -35.47 78.55 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 118.2 0.454 . . . . 25.0 112.159 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.5 m -81.72 -21.23 38.07 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.555 0.946 . . . . 25.0 113.555 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.7 m -82.61 -40.91 20.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 O-C-N 120.026 -1.671 . . . . 25.0 109.475 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -84.15 -16.06 44.87 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 120.689 -1.257 . . . . 25.0 112.219 -176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -147.9 162.68 38.8 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 119.307 0.958 . . . . 25.0 110.966 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.77 131.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.92 163.63 23.22 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 104.412 -2.44 . . . . 25.0 104.412 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.34 168.91 18.76 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD22 ' H ' ' A' ' 13' ' ' LEU . 3.0 mm? -59.93 -38.81 83.46 Favored 'General case' 1 C--O 1.323 4.934 0 CA-C-N 114.273 -1.331 . . . . 25.0 112.342 -169.569 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -52.13 -50.34 61.92 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 123.312 1.529 . . . . 25.0 111.329 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -68.72 -37.91 79.81 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 120.483 -1.385 . . . . 25.0 111.047 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.08 -35.71 69.71 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.51 -31.04 69.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.546 -0.752 . . . . 25.0 111.405 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -70.52 -9.06 55.74 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 120.448 -1.408 . . . . 25.0 114.439 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -100.09 8.06 44.2 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 123.45 0.7 . . . . 25.0 110.187 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -155.91 -139.51 0.08 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.15 -1.796 . . . . 25.0 106.15 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 123.25 1.5 . . . . 25.0 108.222 174.927 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.203 -1.389 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.79 143.87 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 121.869 0.842 . . . . 25.0 109.923 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -85.34 84.14 7.75 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.027 -1.046 . . . . 25.0 108.973 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -135.31 -179.96 5.95 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -70.04 154.01 42.48 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.73 112.97 18.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.1 -179.2 5.52 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.563 0.697 . . . . 25.0 111.501 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.615 3.461 0 C-N-CA 126.158 1.783 . . . . 25.0 112.609 -179.577 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t -75.71 -21.27 57.71 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 107.009 -1.478 . . . . 25.0 107.009 -175.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -34.04 77.0 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 124.315 1.009 . . . . 25.0 113.201 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -34.19 67.86 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.286 -1.746 . . . . 25.0 106.286 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.66 -43.77 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 121.808 0.814 . . . . 25.0 109.516 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -64.53 -37.27 86.98 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.558 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.34 92.83 Favored 'General case' 0 C--O 1.257 1.496 0 O-C-N 120.739 -1.226 . . . . 25.0 112.257 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.43 -45.0 92.79 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 124.805 1.316 . . . . 25.0 110.307 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -65.16 -35.91 82.59 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 121.551 -0.718 . . . . 25.0 112.846 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.79 -44.94 69.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -75.62 -30.51 21.86 Favored 'Isoleucine or valine' 0 C--O 1.258 1.55 0 CA-C-O 121.0 0.428 . . . . 25.0 111.807 -174.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.04 -36.12 28.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 118.749 -1.18 . . . . 25.0 112.327 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.04 -174.54 24.35 Favored Glycine 0 C--N 1.305 -1.141 0 CA-C-O 122.843 1.246 . . . . 25.0 112.308 -172.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.04 7.58 0.53 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 125.389 1.476 . . . . 25.0 114.06 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -75.3 -29.78 60.17 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 124.541 1.151 . . . . 25.0 109.789 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.35 170.79 47.54 Favored Glycine 0 C--O 1.205 -1.709 0 CA-C-O 117.708 -1.607 . . . . 25.0 114.446 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -125.99 -43.57 1.82 Allowed 'General case' 0 C--O 1.201 -1.466 0 CA-C-N 118.487 1.144 . . . . 25.0 113.675 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -153.8 159.11 41.76 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.494 -177.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.3 29.73 6.57 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -139.34 144.42 38.23 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 172.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -144.54 117.31 5.55 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 108.355 -0.979 . . . . 25.0 108.355 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.76 113.02 3.69 Favored 'Trans proline' 0 C--O 1.249 1.039 0 CA-C-O 123.052 1.189 . . . . 25.0 110.327 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.354 0.768 0 C-N-CA 119.094 -1.043 . . . . 25.0 113.607 -179.746 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.681 0 CA-C-O 126.513 3.285 . . . . 25.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.8 mt -51.24 -58.78 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.63 0 CA-C-N 112.355 -1.922 . . . . 25.0 113.482 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.57 -40.83 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 -172.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.92 -49.01 78.22 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 118.74 -0.648 . . . . 25.0 110.685 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.29 -34.4 77.31 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -76.5 -40.09 51.21 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 114.557 1.317 . . . . 25.0 114.557 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.34 -32.79 73.61 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.578 1.695 . . . . 25.0 115.578 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 t -82.45 142.61 31.77 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t 53.69 -175.84 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 124.598 2.142 . . . . 25.0 113.905 -167.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -78.22 123.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 114.365 -1.289 . . . . 25.0 107.818 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.57 160.95 14.11 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.578 0.751 . . . . 25.0 112.197 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.9 p -148.46 157.83 43.72 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.229 0.538 . . . . 25.0 110.75 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.02 -33.14 70.4 Favored 'General case' 1 C--O 1.312 4.372 0 CA-C-O 124.496 2.093 . . . . 25.0 109.364 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -60.7 -36.6 79.19 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 117.046 -3.534 . . . . 25.0 113.826 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -76.54 -37.28 56.88 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 119.448 -2.032 . . . . 25.0 111.418 174.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.78 -35.85 77.49 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.049 0.389 . . . . 25.0 112.049 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.02 -22.15 62.25 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 116.629 2.085 . . . . 25.0 116.629 171.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.85 -11.97 60.8 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.533 -0.867 . . . . 25.0 112.309 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -98.18 3.48 49.02 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 121.438 -0.789 . . . . 25.0 111.114 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.7 m -104.65 177.28 4.89 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.0 t30 . . . . . 0 C--O 1.204 -1.322 0 O-C-N 119.5 -2.0 . . . . 25.0 115.811 173.463 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 116.158 1.911 . . . . 25.0 116.158 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 p -132.07 146.77 32.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 N-CA-C 105.271 -2.122 . . . . 25.0 105.271 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -91.34 74.97 6.09 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 107.602 -1.258 . . . . 25.0 107.602 -176.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.08 -163.34 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 25.0 111.204 -170.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.56 82.62 1.11 Allowed 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.65 122.94 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 106.044 -1.835 . . . . 25.0 106.044 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -143.06 175.67 9.68 Favored 'General case' 0 C--O 1.255 1.365 0 N-CA-C 114.371 1.249 . . . . 25.0 114.371 -177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.588 2.427 0 C-N-CA 128.237 2.615 . . . . 25.0 111.78 176.491 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.0 t -60.08 -33.24 71.81 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 122.294 1.045 . . . . 25.0 110.077 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -63.52 -31.81 73.08 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 120.343 -1.473 . . . . 25.0 113.758 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.25 -44.12 84.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.694 -0.802 . . . . 25.0 110.406 171.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.0 -46.41 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.76 -44.69 90.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.633 -1.167 . . . . 25.0 112.061 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -34.56 62.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.564 -0.71 . . . . 25.0 110.947 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.04 -44.99 87.27 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 118.22 -1.392 . . . . 25.0 112.039 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -58.8 -41.62 87.16 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 121.385 0.612 . . . . 25.0 110.63 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.43 -50.65 71.97 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.094 -0.957 . . . . 25.0 113.182 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.49 -29.77 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 119.424 1.011 . . . . 25.0 112.327 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -40.72 47.27 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.306 -0.871 . . . . 25.0 109.789 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.85 -171.83 21.21 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 114.884 -1.053 . . . . 25.0 114.899 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -16.88 63.94 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.157 -1.79 . . . . 25.0 113.061 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -13.41 40.99 Favored 'General case' 0 C--O 1.2 -1.54 0 N-CA-C 114.698 1.37 . . . . 25.0 114.698 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.21 -172.13 50.34 Favored Glycine 0 CA--C 1.499 -0.965 0 C-N-CA 120.334 -0.936 . . . . 25.0 115.347 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -144.11 166.08 26.02 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -116.42 170.94 8.17 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.163 -0.68 . . . . 25.0 109.163 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.8 21.86 0.64 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.79 1.236 . . . . 25.0 112.631 -174.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.5 p 72.92 157.3 0.18 Allowed 'General case' 0 C--O 1.206 -1.197 0 C-N-CA 127.639 2.375 . . . . 25.0 114.504 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -95.48 139.57 22.01 Favored Pre-proline 0 C--O 1.204 -1.296 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.84 113.11 3.56 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 117.792 -1.005 . . . . 25.0 111.108 166.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.199 -1.587 0 CA-C-O 124.031 1.872 . . . . 25.0 110.788 -172.127 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 CA-C-O 125.672 2.818 . . . . 25.0 112.575 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.89 -35.92 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 CA-C-N 110.835 -2.682 . . . . 25.0 110.32 -175.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.18 -45.36 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 O-C-N 120.309 -1.495 . . . . 25.0 109.68 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -71.7 -41.67 68.32 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.59 -0.694 . . . . 25.0 111.287 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -62.1 -41.94 98.72 Favored 'General case' 0 CA--C 1.578 2.049 0 N-CA-C 114.899 1.444 . . . . 25.0 114.899 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.02 -7.09 10.9 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.459 2.022 . . . . 25.0 116.459 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.86 -29.53 50.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.222 -2.174 . . . . 25.0 109.069 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -104.28 -4.11 23.39 Favored 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -135.0 162.27 32.91 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.269 -0.895 . . . . 25.0 110.5 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mm -73.14 128.12 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 119.405 -0.331 . . . . 25.0 110.269 172.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m -127.55 151.98 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 m -115.6 170.97 8.03 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.54 -35.21 62.97 Favored 'General case' 1 C--O 1.312 4.387 0 C-N-CA 124.061 0.945 . . . . 25.0 111.306 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -61.12 -37.62 83.43 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 117.018 -3.551 . . . . 25.0 114.212 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -75.42 -37.65 60.31 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 114.981 -1.009 . . . . 25.0 110.128 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.76 -24.77 67.66 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 117.799 -1.56 . . . . 25.0 113.081 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.11 -28.64 62.86 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 121.728 -0.607 . . . . 25.0 111.339 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -66.13 -15.96 63.55 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.636 -0.665 . . . . 25.0 111.213 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -106.62 8.48 31.2 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.587 0.708 . . . . 25.0 109.507 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.9 m -107.54 -174.14 2.46 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 102.005 -3.331 . . . . 25.0 102.005 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 . . . . . 0 C--N 1.355 0.843 0 CA-C-O 127.871 3.7 . . . . 25.0 111.32 174.879 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 122.94 1.352 . . . . 25.0 112.598 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.94 126.06 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 113.926 -1.488 . . . . 25.0 108.858 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -73.97 128.77 36.39 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.301 -0.874 . . . . 25.0 112.139 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -156.31 -173.19 4.39 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.42 149.92 47.82 Favored 'General case' 0 C--O 1.194 -1.844 0 N-CA-C 106.887 -1.523 . . . . 25.0 106.887 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -129.26 105.88 8.44 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 122.807 0.443 . . . . 25.0 110.383 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -128.12 159.71 34.27 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.101 0 CA-C-O 123.464 1.602 . . . . 25.0 111.226 174.604 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t -55.73 -34.62 65.33 Favored 'General case' 0 C--N 1.403 2.892 0 O-C-N 118.345 -2.722 . . . . 25.0 113.841 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.53 -39.4 94.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.201 1.001 . . . . 25.0 109.141 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.2 -47.16 80.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.757 -1.111 . . . . 25.0 108.724 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.6 -47.63 92.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.19 -41.44 90.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.974 0.91 . . . . 25.0 112.678 -177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.05 90.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.437 1.017 . . . . 25.0 109.578 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.15 -43.68 86.29 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.44 -42.68 99.63 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.848 0.718 . . . . 25.0 110.11 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.39 -41.32 98.57 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.912 -0.492 . . . . 25.0 112.204 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.31 -29.04 15.01 Favored 'Isoleucine or valine' 0 C--O 1.251 1.134 0 O-C-N 121.337 -0.852 . . . . 25.0 111.147 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -20.01 56.42 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 176.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.81 -171.7 54.63 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 107.989 -2.044 . . . . 25.0 107.989 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.36 -6.13 22.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.61 -0.795 . . . . 25.0 110.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -21.06 64.32 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 123.259 0.35 . . . . 25.0 111.122 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.13 -179.97 53.33 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 111.334 -0.706 . . . . 25.0 111.334 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -143.44 168.33 20.09 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 114.583 -0.808 . . . . 25.0 109.69 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -127.4 23.76 6.33 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.251 -0.431 . . . . 25.0 111.897 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -63.43 -33.33 75.33 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -162.05 165.96 26.54 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 102.13 -3.285 . . . . 25.0 102.13 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -86.5 124.08 70.18 Favored Pre-proline 0 C--O 1.208 -1.081 0 C-N-CA 118.9 -1.12 . . . . 25.0 109.242 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -75.23 72.0 4.95 Favored 'Trans proline' 0 CA--C 1.557 1.632 0 O-C-N 123.149 1.078 . . . . 25.0 112.038 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 125.091 2.377 . . . . 25.0 113.98 179.175 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.517 4.082 0 CA-C-O 125.113 2.507 . . . . 25.0 113.687 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.69 -50.37 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.99 0 O-C-N 120.816 -1.402 . . . . 25.0 110.678 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -72.03 -33.15 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.59 0 C-N-CA 118.382 -1.327 . . . . 25.0 110.512 -174.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.13 -35.99 81.96 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.221 1.01 . . . . 25.0 109.926 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -76.12 -47.63 23.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.574 -0.739 . . . . 25.0 111.315 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -109.64 -26.77 9.72 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 118.663 2.838 . . . . 25.0 118.663 -166.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.3 m -91.83 -18.58 23.61 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 119.957 -1.714 . . . . 25.0 112.918 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -116.77 -8.05 11.43 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.901 1.334 . . . . 25.0 110.221 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.9 m -136.12 -176.94 4.48 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -106.19 135.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 174.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.41 170.17 15.88 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m -129.65 168.79 15.93 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mp -58.83 -30.28 67.53 Favored 'General case' 1 C--O 1.359 6.852 0 C-N-CA 128.288 2.635 . . . . 25.0 110.706 -171.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -58.61 -51.37 70.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 118.643 -2.536 . . . . 25.0 110.96 174.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -66.78 -36.35 82.21 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.829 -0.623 . . . . 25.0 109.321 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.39 -28.81 70.04 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.51 0.93 . . . . 25.0 113.51 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.68 -24.41 63.91 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.11 -22.57 64.88 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.89 -0.724 . . . . 25.0 111.986 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -87.23 0.41 55.4 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 123.298 1.523 . . . . 25.0 109.466 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -96.21 -176.87 3.79 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 t30 . . . . . 0 C--O 1.183 -2.413 0 CA-C-O 126.828 3.204 . . . . 25.0 109.075 168.565 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 125.77 2.7 . . . . 25.0 114.785 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.59 161.83 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 105.252 -2.129 . . . . 25.0 105.252 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -75.88 10.45 1.84 Allowed 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.85 179.32 4.94 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -56.79 132.48 52.4 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.713 -1.242 . . . . 25.0 108.3 170.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.45 105.77 11.96 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.21 -170.37 3.63 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 103.89 -2.633 . . . . 25.0 103.89 177.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 1.556 0 C-N-CA 126.89 2.076 . . . . 25.0 109.876 -178.368 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -60.62 -25.48 66.31 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 119.581 -1.949 . . . . 25.0 111.64 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -60.05 -43.4 95.41 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.043 0.925 . . . . 25.0 111.642 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -48.26 74.13 Favored 'General case' 0 C--O 1.204 -1.298 0 O-C-N 120.977 -1.077 . . . . 25.0 109.193 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.18 -39.59 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 125.248 1.592 . . . . 25.0 110.052 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.62 -41.4 72.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 25.0 111.359 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.13 86.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.285 -0.87 . . . . 25.0 112.295 174.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.427 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 6.5 mt -66.91 -43.01 84.49 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.691 -1.14 . . . . 25.0 109.452 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -58.25 -38.93 77.88 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 119.421 -0.323 . . . . 25.0 110.588 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.95 -35.73 69.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.947 -1.095 . . . . 25.0 113.664 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 m -81.34 -21.62 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 124.198 0.937 . . . . 25.0 112.52 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.61 -41.32 8.97 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 118.711 -0.661 . . . . 25.0 112.158 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.65 -177.19 21.17 Favored Glycine 0 C--O 1.255 1.409 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -60.74 -26.71 67.39 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.099 -1.236 . . . . 25.0 112.534 -173.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -13.36 28.69 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.44 -164.47 49.31 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 119.686 -1.245 . . . . 25.0 111.894 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 49.5 p90 -148.67 165.8 30.27 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 125.696 1.599 . . . . 25.0 107.729 -176.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -101.06 163.6 12.21 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 123.989 0.916 . . . . 25.0 112.819 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -128.68 115.99 18.88 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 104.182 -2.525 . . . . 25.0 104.182 171.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.7 m 73.5 130.05 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.403 1.081 . . . . 25.0 113.621 -172.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -63.93 119.87 58.8 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 118.937 -0.554 . . . . 25.0 111.941 -175.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.28 112.32 3.52 Favored 'Trans proline' 0 C--O 1.221 -0.363 0 C-N-CA 116.602 -1.799 . . . . 25.0 110.509 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.211 -0.939 0 CA-C-O 123.437 1.589 . . . . 25.0 111.222 -176.233 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.183 -3.045 0 N-CA-C 116.796 1.479 . . . . 25.0 116.796 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.14 -63.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.87 -29.34 33.19 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.091 0 C-N-CA 119.615 -0.834 . . . . 25.0 113.07 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -60.42 -36.99 79.47 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.798 -1.556 . . . . 25.0 106.798 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -78.97 -57.33 3.8 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.41 -13.15 60.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.724 3.231 . . . . 25.0 119.724 -172.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.3 -24.75 46.55 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.376 -0.93 . . . . 25.0 109.627 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -107.93 -29.49 9.0 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.48 0.582 . . . . 25.0 110.388 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -110.72 -179.86 3.87 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.45 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.1 mm -101.17 127.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.263 1.782 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.98 132.45 56.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.838 -0.539 . . . . 25.0 111.409 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -92.94 159.91 15.13 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.66 -26.76 68.81 Favored 'General case' 1 C--O 1.346 6.177 0 O-C-N 120.554 -1.341 . . . . 25.0 110.136 174.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.42 -40.01 77.4 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 116.504 -3.873 . . . . 25.0 111.152 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.95 -38.87 52.46 Favored 'General case' 0 C--N 1.377 1.761 0 O-C-N 118.688 -2.508 . . . . 25.0 109.428 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.72 -29.82 68.39 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.11 0.782 . . . . 25.0 113.11 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.42 -31.5 67.78 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 124.933 1.396 . . . . 25.0 112.288 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -64.86 -26.95 68.55 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.782 -1.199 . . . . 25.0 112.611 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -76.21 -11.99 60.02 Favored 'General case' 0 C--O 1.204 -1.292 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.921 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -15.05 14.77 Favored 'General case' 0 C--O 1.199 -1.6 0 CA-C-O 121.59 0.71 . . . . 25.0 111.641 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 N--CA 1.507 2.409 0 CA-C-O 123.47 1.605 . . . . 25.0 114.781 -176.522 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.673 1.702 . . . . 25.0 115.298 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -83.12 129.03 38.15 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -123.21 -171.84 2.38 Favored 'General case' 0 CA--C 1.488 -1.423 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.0 -153.8 0.49 Allowed 'General case' 0 C--O 1.262 1.728 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 170.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -73.35 145.23 46.1 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.66 124.64 34.14 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 107.421 -1.325 . . . . 25.0 107.421 -173.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.49 -52.9 0.18 Allowed 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -175.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.531 3.625 0 C-N-CA 126.475 1.91 . . . . 25.0 113.344 179.308 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -47.9 -35.3 10.29 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 126.224 1.81 . . . . 25.0 115.436 174.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.0 -30.3 65.97 Favored 'General case' 0 C--O 1.194 -1.828 0 CA-C-N 114.44 -1.254 . . . . 25.0 110.54 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.5 -41.87 65.45 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.185 -1.413 . . . . 25.0 107.185 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.51 -43.25 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.272 0.558 . . . . 25.0 109.578 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.07 -38.74 92.39 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 121.68 0.752 . . . . 25.0 109.979 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.56 86.62 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 121.118 -0.989 . . . . 25.0 111.04 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.63 -40.64 80.21 Favored 'General case' 0 C--O 1.201 -1.454 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.95 -47.97 83.18 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 118.157 -0.925 . . . . 25.0 111.768 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.33 -38.78 90.79 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 114.503 1.297 . . . . 25.0 114.503 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -81.6 -26.86 9.97 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 O-C-N 121.37 -0.831 . . . . 25.0 112.071 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.49 -24.83 17.86 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 -161.66 36.4 Favored Glycine 0 C--N 1.363 2.057 0 N-CA-C 110.219 -1.152 . . . . 25.0 110.219 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -91.89 25.61 2.72 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.126 1.899 . . . . 25.0 116.126 -175.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.64 -8.7 58.78 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 113.488 0.921 . . . . 25.0 113.488 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 161.21 36.92 Favored Glycine 0 C--O 1.25 1.119 0 C-N-CA 119.782 -1.199 . . . . 25.0 115.1 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -158.01 164.47 36.73 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.263 0.625 . . . . 25.0 109.621 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -93.49 -160.72 0.78 Allowed 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 122.355 1.074 . . . . 25.0 110.488 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.7 t80 53.61 73.99 0.34 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.73 1.752 . . . . 25.0 115.73 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.9 t -148.34 162.24 39.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 105.839 -1.911 . . . . 25.0 105.839 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -73.06 134.96 80.38 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 103.386 -2.82 . . . . 25.0 103.386 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.1 86.11 1.71 Allowed 'Trans proline' 0 C--O 1.259 1.538 0 CA-C-O 123.727 1.469 . . . . 25.0 114.681 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 124.921 2.296 . . . . 25.0 111.613 179.469 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.188 -2.737 0 CA-C-O 125.3 2.611 . . . . 25.0 115.258 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -54.53 -47.91 70.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 O-C-N 119.583 -2.128 . . . . 25.0 112.815 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -83.05 -18.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 117.481 -1.247 . . . . 25.0 111.706 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.73 -31.2 70.1 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 124.907 1.38 . . . . 25.0 108.659 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.65 -27.93 14.57 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -115.59 -4.46 12.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 121.274 3.805 . . . . 25.0 121.274 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.54 -16.05 58.89 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 123.301 1.524 . . . . 25.0 107.458 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -120.4 161.86 20.48 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 102.233 -3.247 . . . . 25.0 102.233 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 m 61.73 -160.63 0.3 Allowed 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 123.803 0.841 . . . . 25.0 110.603 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mm -127.54 120.05 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.5 156.81 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.902 -0.59 . . . . 25.0 109.497 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.4 m -135.0 175.95 9.11 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 105.66 -1.978 . . . . 25.0 105.66 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.98 -26.75 38.88 Favored 'General case' 1 C--O 1.351 6.441 0 C-N-CA 127.378 2.271 . . . . 25.0 111.608 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -53.34 -51.49 62.24 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 117.478 -3.264 . . . . 25.0 111.811 169.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -77.29 -33.29 55.75 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.477 -1.389 . . . . 25.0 111.252 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.66 -31.65 70.87 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 123.204 0.315 . . . . 25.0 111.396 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.46 -28.65 60.19 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -68.63 -16.86 63.98 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 116.283 -0.417 . . . . 25.0 111.799 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -94.25 5.06 52.93 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.988 0.915 . . . . 25.0 111.151 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.0 m -80.08 4.13 18.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.478 1.132 . . . . 25.0 110.109 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 . . . . . 0 CA--C 1.563 1.446 0 CA-C-O 126.751 3.167 . . . . 25.0 109.508 174.862 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.206 -1.214 0 CA-C-O 124.91 2.29 . . . . 25.0 116.302 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 t -121.87 127.26 75.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 113.747 -1.569 . . . . 25.0 110.098 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -67.25 97.35 0.54 Allowed 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.04 -176.69 6.12 Favored 'General case' 0 CA--C 1.57 1.713 0 O-C-N 124.471 1.107 . . . . 25.0 110.324 -176.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.67 78.55 6.23 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.497 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.96 112.26 1.6 Allowed 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.278 0.631 . . . . 25.0 112.484 -174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -142.79 178.45 7.64 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 114.792 -1.094 . . . . 25.0 109.69 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.288 0 O-C-N 125.724 1.89 . . . . 25.0 110.525 175.325 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t -51.49 -35.6 40.93 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 119.601 -1.937 . . . . 25.0 113.266 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -67.03 -41.68 86.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.728 -0.789 . . . . 25.0 110.554 -174.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.61 -44.02 91.91 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 115.137 -0.938 . . . . 25.0 110.342 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.13 -46.54 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -64.57 -44.07 91.88 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.056 0.455 . . . . 25.0 111.421 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.97 83.18 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-O 121.582 0.706 . . . . 25.0 111.954 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.9 -44.88 94.0 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.8 -41.71 91.81 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 118.403 0.547 . . . . 25.0 110.561 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.55 -46.87 77.84 Favored 'General case' 0 C--O 1.247 0.964 0 C-N-CA 120.466 -0.494 . . . . 25.0 111.052 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.82 -36.98 34.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 C-N-CA 119.284 -0.967 . . . . 25.0 112.093 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -21.42 51.86 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 122.274 1.035 . . . . 25.0 113.044 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.35 176.27 50.52 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 122.228 0.905 . . . . 25.0 111.955 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.88 7.89 1.04 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 118.777 -0.63 . . . . 25.0 111.836 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -67.32 -32.22 73.04 Favored 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 106.12 -1.808 . . . . 25.0 106.12 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.86 148.49 9.8 Favored Glycine 0 C--O 1.202 -1.862 0 N-CA-C 117.019 1.568 . . . . 25.0 117.019 172.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.413 ' C ' ' H ' ' B' ' 26' ' ' TYR . 26.7 p90 -109.74 -16.73 13.84 Favored 'General case' 0 C--O 1.199 -1.582 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -88.77 23.19 2.39 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 122.738 1.256 . . . . 25.0 108.244 175.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.413 ' H ' ' C ' ' B' ' 24' ' ' PHE . 39.8 t80 -67.0 -29.69 69.6 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 105.352 -2.092 . . . . 25.0 105.352 176.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -111.21 83.38 1.76 Allowed 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.122 -1.066 . . . . 25.0 108.122 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -66.05 145.9 99.01 Favored Pre-proline 0 N--CA 1.498 1.934 0 C-N-CA 120.251 -0.579 . . . . 25.0 110.807 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -69.12 98.31 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 116.531 -1.846 . . . . 25.0 111.855 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 125.08 2.372 . . . . 25.0 111.697 -178.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.626 0 CA-C-O 124.407 2.115 . . . . 25.0 115.531 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 2' ' ' ILE . 14.8 mt -60.7 -38.07 77.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 113.801 -1.2 . . . . 25.0 109.485 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.68 -33.03 43.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.48 -0.888 . . . . 25.0 111.001 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.61 -39.46 93.76 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.49 -0.756 . . . . 25.0 108.967 173.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.11 -34.75 79.13 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 122.027 0.917 . . . . 25.0 111.94 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -42.31 83.7 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.235 -0.915 . . . . 25.0 111.221 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.09 -26.62 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 115.085 1.513 . . . . 25.0 115.085 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -89.37 -10.13 47.76 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.512 -0.742 . . . . 25.0 111.584 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -122.03 -161.73 0.95 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.02 120.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HB2' HD12 ' B' ' 6' ' ' LEU . 72.1 m -74.47 155.76 37.66 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.331 -0.856 . . . . 25.0 111.412 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 m -137.42 157.92 45.53 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 13' ' ' LEU . 6.3 mp -52.84 -38.58 61.62 Favored 'General case' 1 C--O 1.335 5.556 0 C-N-CA 124.396 1.078 . . . . 25.0 112.329 -171.444 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.76 -44.24 96.71 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 118.091 -2.881 . . . . 25.0 114.983 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -70.11 -38.22 75.55 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.933 -1.73 . . . . 25.0 108.296 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB3' HG11 ' B' ' 18' ' ' VAL . 16.0 mt -55.92 -35.1 66.24 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.064 0.852 . . . . 25.0 112.546 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.89 -29.53 20.25 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.037 1.125 . . . . 25.0 114.037 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -64.57 -21.42 66.69 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.312 0.506 . . . . 25.0 112.294 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.11 -6.66 50.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.011 -0.366 . . . . 25.0 110.011 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.62 -5.51 45.56 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 107.91 -1.144 . . . . 25.0 107.91 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.1 t30 . . . . . 0 C--O 1.2 -1.524 0 CA-C-O 123.659 1.695 . . . . 25.0 111.749 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 122.81 1.29 . . . . 25.0 114.349 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.1 t -111.2 130.59 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 104.884 -2.265 . . . . 25.0 104.884 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -133.35 -155.34 0.67 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.374 -1.713 . . . . 25.0 106.374 -173.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.66 -166.69 1.31 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -64.33 131.83 48.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 11' ' ' CYS . 39.4 mt -115.82 108.84 16.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.155 0.502 . . . . 25.0 111.7 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.98 170.05 16.43 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.365 0 C-N-CA 126.58 1.952 . . . . 25.0 110.158 -175.198 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.9 p -52.86 -28.64 23.93 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 124.628 1.171 . . . . 25.0 112.485 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -68.48 -39.54 81.33 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.267 -0.895 . . . . 25.0 111.583 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.55 -39.5 88.58 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.45 -40.4 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.264 0.554 . . . . 25.0 110.289 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -61.8 -43.45 98.83 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.76 -0.587 . . . . 25.0 111.029 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.156 -0.34 . . . . 25.0 111.231 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.65 -44.37 94.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.257 1.027 . . . . 25.0 110.672 173.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -63.01 -41.4 99.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.919 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -63.98 -41.6 97.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.411 HG11 ' HB3' ' A' ' 16' ' ' LEU . 4.9 p -72.87 -29.0 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 121.145 -0.972 . . . . 25.0 111.293 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -35.0 36.85 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 174.68 17.46 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 111.357 -0.697 . . . . 25.0 111.357 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.63 -18.08 61.58 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -9.96 59.72 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 121.347 -0.846 . . . . 25.0 112.236 177.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.2 -178.83 49.46 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-O 119.009 -0.884 . . . . 25.0 111.428 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.94 -37.62 10.13 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-O 122.08 0.943 . . . . 25.0 109.676 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -156.01 158.88 38.59 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -67.03 -48.62 67.79 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.122 -1.066 . . . . 25.0 108.122 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.49 101.07 11.15 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.108 -1.071 . . . . 25.0 108.108 176.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -82.8 115.81 60.6 Favored Pre-proline 0 N--CA 1.482 1.174 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.025 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -79.19 85.79 1.8 Allowed 'Trans proline' 0 CA--C 1.535 0.564 0 CA-C-O 122.872 1.113 . . . . 25.0 113.541 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 C--O 1.208 -1.088 0 O-C-N 119.203 -2.186 . . . . 25.0 113.762 -179.794 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' HA2' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 1 N--CA 1.519 4.211 0 CA-C-O 123.267 1.481 . . . . 25.0 114.708 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.79 -41.27 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 113.671 -1.264 . . . . 25.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.35 -32.83 54.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' OE1' ' HA2' ' A' ' 1' ' ' GLY . 36.9 mt-10 -66.65 -45.51 78.76 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -66.67 -46.11 76.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -29.29 67.22 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.183 1.549 . . . . 25.0 115.183 -174.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.24 -13.06 61.43 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 118.13 -0.938 . . . . 25.0 110.807 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -123.46 -22.27 5.09 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.532 0.605 . . . . 25.0 110.697 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -122.44 165.87 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.192 -0.603 . . . . 25.0 109.605 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -79.46 131.61 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -96.22 152.24 18.75 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.371 1.045 . . . . 25.0 108.495 171.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -140.07 160.0 40.91 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 105.131 -2.174 . . . . 25.0 105.131 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.01 -32.81 68.29 Favored 'General case' 1 C--O 1.328 5.208 0 C-N-CA 117.884 -1.526 . . . . 25.0 111.276 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.53 -44.78 95.71 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.682 -2.511 . . . . 25.0 112.229 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.98 -45.89 91.64 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 123.903 0.752 . . . . 25.0 112.517 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.26 -29.66 68.94 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 114.597 1.332 . . . . 25.0 114.597 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.14 -19.56 64.82 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 120.798 -1.189 . . . . 25.0 113.352 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -98.5 -1.46 41.15 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.85 -17.41 41.02 Favored 'General case' 0 C--O 1.184 -2.373 0 CA-C-O 122.608 1.194 . . . . 25.0 109.468 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 C--O 1.208 -1.12 0 C-N-CA 126.787 2.035 . . . . 25.0 116.493 -176.16 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 123.847 1.784 . . . . 25.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.52 119.2 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 O-C-N 118.685 -2.509 . . . . 25.0 109.979 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -80.97 128.73 34.02 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -156.54 -155.77 0.56 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -81.08 76.59 8.02 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.522 1.153 . . . . 25.0 108.643 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.81 66.67 4.35 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.6 -1.636 . . . . 25.0 110.487 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.38 -170.58 2.79 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 113.808 -1.542 . . . . 25.0 109.839 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.88 0 CA-C-N 113.327 -1.76 . . . . 25.0 110.528 177.022 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -67.41 -28.6 68.05 Favored 'General case' 0 C--N 1.376 1.724 0 O-C-N 120.29 -1.506 . . . . 25.0 111.804 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -58.19 -28.35 64.7 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.391 -0.814 . . . . 25.0 111.309 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.4 -47.42 86.16 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 118.372 0.533 . . . . 25.0 111.46 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.8 -43.49 93.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.629 -1.169 . . . . 25.0 108.363 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.72 -45.42 89.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -36.1 80.13 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -70.02 -41.46 74.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.396 1.093 . . . . 25.0 111.898 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.67 -38.18 89.35 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 120.631 -1.293 . . . . 25.0 111.668 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.55 -50.34 65.55 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 121.897 -0.502 . . . . 25.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.06 -35.87 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 117.929 -1.508 . . . . 25.0 112.923 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.24 -18.21 34.68 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 167.66 42.8 Favored Glycine 0 C--O 1.202 -1.879 0 O-C-N 120.155 -1.591 . . . . 25.0 111.644 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -68.76 -16.44 63.8 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-O 121.119 0.485 . . . . 25.0 111.347 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.55 16.67 25.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 178.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.39 -151.31 3.7 Favored Glycine 0 N--CA 1.48 1.568 0 N-CA-C 116.28 1.272 . . . . 25.0 116.28 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.55 163.69 5.15 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 121.007 0.432 . . . . 25.0 111.012 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -128.94 156.68 43.37 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.524 -0.735 . . . . 25.0 109.29 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.99 32.12 6.1 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.492 0.663 . . . . 25.0 110.082 173.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 157.99 43.82 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -174.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -127.26 86.92 57.62 Favored Pre-proline 0 C--O 1.216 -0.678 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.39 97.8 0.62 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 CA-C-O 122.197 0.832 . . . . 25.0 113.613 173.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 O-C-N 119.204 -2.185 . . . . 25.0 112.118 -174.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.12 0 CA-C-O 123.161 1.423 . . . . 25.0 116.351 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -52.63 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 114.641 -0.78 . . . . 25.0 110.464 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.24 -33.56 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.411 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.49 -38.08 89.77 Favored 'General case' 0 C--O 1.245 0.866 0 O-C-N 124.076 0.86 . . . . 25.0 110.451 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.62 -46.48 31.38 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 118.366 -0.826 . . . . 25.0 112.941 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.54 -16.14 27.65 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 116.916 2.191 . . . . 25.0 116.916 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -87.1 -13.68 43.52 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-N 119.074 0.852 . . . . 25.0 110.589 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -102.94 152.15 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 106.212 -1.773 . . . . 25.0 106.212 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m 47.94 -155.98 0.06 Allowed 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.412 1.07 . . . . 25.0 110.486 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -126.95 111.26 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 118.726 -0.654 . . . . 25.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.02 161.86 15.64 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-O 122.629 1.204 . . . . 25.0 110.311 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -104.2 158.19 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.868 1.433 . . . . 25.0 114.868 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.37 -28.43 69.76 Favored 'General case' 1 C--O 1.371 7.49 0 O-C-N 118.586 -2.571 . . . . 25.0 111.191 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -59.36 -41.77 90.03 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 116.239 -4.038 . . . . 25.0 110.124 174.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -70.28 -41.96 72.71 Favored 'General case' 0 C--O 1.196 -1.759 0 CA-C-N 114.64 -1.164 . . . . 25.0 109.106 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.69 -38.06 69.17 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 118.513 0.597 . . . . 25.0 110.849 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.12 -16.03 49.6 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 115.519 1.674 . . . . 25.0 115.519 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -70.21 -25.46 63.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 118.497 -0.764 . . . . 25.0 111.686 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -84.92 9.29 14.81 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 124.904 1.377 . . . . 25.0 109.182 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -141.36 -171.11 3.22 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 121.418 -0.801 . . . . 25.0 111.117 -176.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 . . . . . 0 C--N 1.352 0.693 0 CA-C-O 125.643 2.64 . . . . 25.0 110.022 171.765 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 N--CA 1.506 2.326 0 N-CA-C 115.685 1.735 . . . . 25.0 115.685 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.0 118.55 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -77.23 160.89 28.58 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.606 -0.684 . . . . 25.0 111.802 -172.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -174.68 3.2 Favored 'General case' 0 C--O 1.205 -1.277 0 N-CA-C 105.024 -2.213 . . . . 25.0 105.024 169.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -58.35 146.03 36.01 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 119.277 -0.969 . . . . 25.0 108.653 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.39 131.29 12.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.219 0.533 . . . . 25.0 109.891 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.05 -66.42 1.04 Allowed 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.088 -1.449 . . . . 25.0 107.088 -173.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.616 3.482 0 CA-C-N 111.696 -2.502 . . . . 25.0 112.544 -172.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.4 t -55.75 -26.79 47.46 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 126.705 2.002 . . . . 25.0 113.964 -175.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -57.04 -36.54 70.61 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.192 -0.943 . . . . 25.0 111.954 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -40.1 94.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 118.349 0.522 . . . . 25.0 111.029 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.21 -38.63 62.87 Favored 'Isoleucine or valine' 0 C--O 1.264 1.833 0 N-CA-C 107.466 -1.309 . . . . 25.0 107.466 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.62 -44.7 89.71 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.405 0.441 . . . . 25.0 109.821 177.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.61 96.87 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -45.98 90.48 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 118.608 0.64 . . . . 25.0 111.699 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -58.51 -46.1 87.44 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.723 -0.611 . . . . 25.0 112.399 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.28 -46.98 75.13 Favored 'General case' 0 CA--C 1.521 -0.155 0 O-C-N 123.86 0.725 . . . . 25.0 110.685 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.16 -31.66 45.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-O 121.41 0.624 . . . . 25.0 112.539 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.84 -35.84 14.56 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 120.89 -1.132 . . . . 25.0 113.828 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.59 -174.08 34.47 Favored Glycine 0 N--CA 1.428 -1.857 0 CA-C-O 122.524 1.069 . . . . 25.0 112.102 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -70.97 -0.18 8.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.519 1.303 . . . . 25.0 114.519 -168.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -33.99 77.15 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.9 160.77 36.84 Favored Glycine 0 C--O 1.193 -2.453 0 C-N-CA 120.376 -0.916 . . . . 25.0 114.116 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -126.49 -1.96 6.82 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 124.815 1.246 . . . . 25.0 110.272 -176.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -66.95 157.11 34.13 Favored 'General case' 0 C--O 1.273 2.298 0 N-CA-C 113.852 1.056 . . . . 25.0 113.852 -171.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -120.97 114.5 21.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 117.421 -1.276 . . . . 25.0 112.129 172.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.8 p 68.06 146.1 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.206 1.402 . . . . 25.0 111.736 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -76.75 119.67 78.4 Favored Pre-proline 0 N--CA 1.481 1.098 0 O-C-N 120.436 -1.415 . . . . 25.0 110.338 -167.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -82.11 73.23 5.78 Favored 'Trans proline' 0 C--O 1.205 -1.143 0 C-N-CA 121.808 1.672 . . . . 25.0 110.48 175.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.313 -1.006 0 CA-C-O 124.648 2.166 . . . . 25.0 112.639 -177.902 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.568 0 CA-C-O 125.206 2.559 . . . . 25.0 116.457 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 mt -63.38 -32.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 119.483 -2.186 . . . . 25.0 108.464 172.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.53 -36.87 76.02 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.983 0 O-C-N 121.095 -1.003 . . . . 25.0 111.005 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.64 -38.69 73.9 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -62.18 -37.67 86.16 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-O 121.75 0.786 . . . . 25.0 110.727 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.47 -41.87 72.18 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.663 -0.699 . . . . 25.0 109.675 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.1 -32.4 73.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 119.476 -0.89 . . . . 25.0 111.396 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -75.61 -7.46 54.31 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.23 -1.544 . . . . 25.0 109.028 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -116.79 -161.54 0.81 Allowed 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 172.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.2 mm -113.21 116.91 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.19 142.19 38.12 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.361 1.077 . . . . 25.0 109.53 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 m -119.9 159.28 24.97 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.184 -0.948 . . . . 25.0 109.182 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.99 -40.56 85.24 Favored 'General case' 1 C--O 1.334 5.514 0 C-N-CA 123.812 0.845 . . . . 25.0 111.984 -175.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -56.1 -40.33 73.51 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.826 -2.421 . . . . 25.0 112.551 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.3 -44.48 62.67 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.15 -30.84 66.67 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 113.801 -1.545 . . . . 25.0 111.141 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.43 -29.45 67.77 Favored 'General case' 0 C--O 1.193 -1.896 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.65 -19.2 62.82 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 119.519 -0.872 . . . . 25.0 111.124 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -79.43 -15.57 57.6 Favored 'General case' 0 C--O 1.206 -1.215 0 C-N-CA 118.869 -1.132 . . . . 25.0 111.06 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.51 154.88 22.43 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 122.042 0.925 . . . . 25.0 108.57 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 C--O 1.197 -1.675 0 CA-C-O 125.817 2.722 . . . . 25.0 110.686 178.351 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 124.041 1.877 . . . . 25.0 113.819 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.426 HG12 ' H ' ' B' ' 4' ' ' GLN . 64.3 t -104.81 123.23 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 114.208 -1.36 . . . . 25.0 108.657 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -78.72 0.46 26.64 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 116.797 2.147 . . . . 25.0 116.797 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.426 ' H ' HG12 ' B' ' 2' ' ' VAL . 7.5 mp0 -76.49 -172.39 2.15 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.381 -1.34 . . . . 25.0 107.381 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -66.98 119.09 11.38 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.381 1.086 . . . . 25.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -84.19 125.08 31.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.437 -1.32 . . . . 25.0 107.437 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.0 175.18 10.64 Favored 'General case' 0 C--O 1.262 1.736 0 N-CA-C 102.231 -3.248 . . . . 25.0 102.231 177.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.423 0 C-N-CA 127.392 2.277 . . . . 25.0 113.054 177.053 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -50.35 -42.07 52.57 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.184 -1.573 . . . . 25.0 113.922 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -61.49 -43.43 98.88 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.285 -0.884 . . . . 25.0 112.013 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.63 -45.36 87.17 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.465 -1.243 . . . . 25.0 108.876 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.63 -44.74 79.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 -173.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -60.86 -46.78 89.23 Favored 'General case' 0 C--N 1.311 -1.099 0 O-C-N 121.815 -0.553 . . . . 25.0 111.298 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.48 88.99 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 122.029 -0.419 . . . . 25.0 111.823 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.28 -47.31 82.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.227 -0.897 . . . . 25.0 109.717 174.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.3 -35.8 80.2 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.979 -1.076 . . . . 25.0 110.502 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.79 -49.54 77.07 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.229 0.33 . . . . 25.0 110.847 174.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.56 -25.26 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 25.0 112.56 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -86.69 -29.79 22.19 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.014 -1.054 . . . . 25.0 112.914 177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 176.08 31.11 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 120.695 -1.253 . . . . 25.0 111.758 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.7 -16.91 62.3 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.209 -0.996 . . . . 25.0 113.542 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -20.71 66.19 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 124.205 0.941 . . . . 25.0 112.139 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 165.43 39.29 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-O 118.502 -1.166 . . . . 25.0 111.442 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -107.03 -53.38 2.62 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 124.415 0.715 . . . . 25.0 111.037 -177.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -152.59 170.05 21.15 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 120.753 -1.217 . . . . 25.0 108.509 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -71.91 -160.76 0.06 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.343 -1.299 . . . . 25.0 112.728 171.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 31.7 p -102.36 94.88 5.93 Favored 'General case' 0 C--O 1.193 -1.896 0 O-C-N 121.192 -0.942 . . . . 25.0 113.039 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -115.3 159.99 35.98 Favored Pre-proline 0 C--O 1.21 -1.017 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.58 98.43 1.21 Allowed 'Trans proline' 0 C--O 1.204 -1.194 0 C-N-CA 115.492 -2.539 . . . . 25.0 114.556 170.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.395 0 CA-C-O 126.224 2.916 . . . . 25.0 113.54 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.589 0 CA-C-O 126.233 3.13 . . . . 25.0 116.386 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.18 -42.2 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 112.023 -2.088 . . . . 25.0 109.162 -177.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 p -64.07 -38.3 82.07 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.967 0 N-CA-C 108.199 -1.037 . . . . 25.0 108.199 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.83 -50.11 74.74 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 123.179 0.299 . . . . 25.0 110.915 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -69.66 -40.41 76.47 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.86 -27.15 14.42 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 119.299 3.074 . . . . 25.0 119.299 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.1 -29.69 70.06 Favored 'General case' 0 C--O 1.254 1.325 0 O-C-N 120.353 -1.467 . . . . 25.0 109.459 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -85.21 -0.84 55.91 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 122.822 1.296 . . . . 25.0 111.07 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -136.66 -162.6 1.3 Allowed 'General case' 0 C--O 1.247 0.948 0 N-CA-C 106.835 -1.543 . . . . 25.0 106.835 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -108.31 -37.58 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 121.831 0.824 . . . . 25.0 112.928 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 m 56.87 -159.94 0.23 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.932 0.893 . . . . 25.0 112.898 -176.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.9 p -155.94 160.33 40.01 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 123.149 1.452 . . . . 25.0 109.101 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.57 -28.29 69.24 Favored 'General case' 1 C--O 1.338 5.754 0 O-C-N 120.687 -1.258 . . . . 25.0 107.981 172.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.0 -41.09 91.5 Favored 'General case' 0 C--O 1.209 -1.071 1 O-C-N 114.914 -4.866 . . . . 25.0 112.892 175.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.96 -43.09 75.71 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 120.286 -1.509 . . . . 25.0 109.081 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -58.41 -33.84 70.11 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.838 0.711 . . . . 25.0 112.151 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.25 -17.83 13.47 Favored 'General case' 0 C--O 1.199 -1.587 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.59 -19.78 62.09 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.276 -0.869 . . . . 25.0 111.472 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.05 -9.43 48.54 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 119.417 1.008 . . . . 25.0 108.824 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -88.44 131.88 34.7 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 124.628 1.205 . . . . 25.0 113.946 -175.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--N 1.295 -1.779 0 CA-C-O 123.753 1.739 . . . . 25.0 112.109 176.685 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.517 2.923 0 CA-C-O 122.34 1.067 . . . . 25.0 112.57 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.82 140.52 36.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-N 115.199 -0.91 . . . . 25.0 110.207 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.17 124.9 38.48 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.764 0.792 . . . . 25.0 109.306 -175.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -133.27 -171.11 2.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 102.284 -3.228 . . . . 25.0 102.284 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -58.42 145.48 38.38 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.7 mt -116.5 100.56 7.94 Favored 'General case' 0 C--O 1.252 1.186 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.5 m -117.0 164.02 15.34 Favored 'General case' 0 N--CA 1.438 -1.055 0 O-C-N 124.519 1.137 . . . . 25.0 111.008 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.588 2.442 0 C-N-CA 129.018 2.927 . . . . 25.0 113.35 176.163 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -52.44 -42.4 64.11 Favored 'General case' 0 C--N 1.394 2.537 0 O-C-N 120.836 -1.165 . . . . 25.0 112.612 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 117.606 -1.188 . . . . 25.0 109.211 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.71 -46.16 89.95 Favored 'General case' 0 C--O 1.202 -1.434 0 O-C-N 124.233 0.958 . . . . 25.0 110.587 173.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.98 -44.65 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.582 0.706 . . . . 25.0 111.269 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.57 -42.45 92.49 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 120.795 -1.191 . . . . 25.0 110.838 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.21 93.95 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 118.819 0.736 . . . . 25.0 112.22 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.56 -42.77 99.33 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 121.71 0.767 . . . . 25.0 110.601 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.69 -45.4 75.25 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.096 -0.956 . . . . 25.0 110.554 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.96 -41.22 87.26 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 115.71 1.745 . . . . 25.0 115.71 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.33 -37.0 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 122.214 1.007 . . . . 25.0 111.629 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.3 t -77.92 -38.88 44.53 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 113.686 0.995 . . . . 25.0 113.686 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -145.6 17.79 Favored Glycine 0 C--O 1.265 2.071 0 N-CA-C 109.43 -1.468 . . . . 25.0 109.43 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -95.65 4.87 52.66 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 117.658 0.729 . . . . 25.0 111.318 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.04 -20.94 60.89 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.446 1.647 . . . . 25.0 115.446 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 144.18 14.16 Favored Glycine 0 C--O 1.22 -0.753 0 O-C-N 121.182 -0.949 . . . . 25.0 113.397 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -134.13 162.07 33.12 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 118.825 1.313 . . . . 25.0 108.458 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.8 -178.96 3.97 Favored 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 114.571 1.323 . . . . 25.0 114.571 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 67.42 15.2 9.84 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 125.367 1.467 . . . . 25.0 113.32 -176.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.78 152.23 31.39 Favored 'General case' 0 N--CA 1.447 -0.595 1 N-CA-C 100.162 -4.014 . . . . 25.0 100.162 175.486 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -116.94 154.84 49.72 Favored Pre-proline 0 C--O 1.239 0.522 0 O-C-N 124.267 0.979 . . . . 25.0 109.803 -175.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.7 82.9 2.29 Favored 'Trans proline' 0 C--O 1.203 -1.264 0 C-N-CA 121.542 1.495 . . . . 25.0 114.426 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.188 -2.149 0 CA-C-O 124.339 2.019 . . . . 25.0 111.985 179.374 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.468 -2.904 0 CA-C-O 127.316 3.731 . . . . 25.0 112.903 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.406 HG13 ' H ' ' A' ' 2' ' ' ILE . 16.0 mt -53.73 -51.97 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 110.756 -2.722 . . . . 25.0 111.784 -173.008 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.54 -35.18 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 O-C-N 121.584 -0.697 . . . . 25.0 111.057 -177.28 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.22 -37.56 85.85 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 117.987 -1.006 . . . . 25.0 110.107 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.75 -36.2 20.29 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.992 1.269 . . . . 25.0 110.037 -174.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.67 -17.07 10.01 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 118.337 2.718 . . . . 25.0 118.337 -167.179 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.62 -48.74 5.68 Favored 'General case' 0 C--O 1.206 -1.218 0 C-N-CA 119.669 -0.812 . . . . 25.0 112.172 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -72.09 -12.97 61.45 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.228 -1.545 . . . . 25.0 109.139 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -128.05 -177.8 4.28 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.3 119.59 35.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 118.656 0.662 . . . . 25.0 110.664 175.03 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t -86.75 166.63 15.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -144.11 152.24 40.67 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.832 0.825 . . . . 25.0 113.11 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.95 -29.97 68.77 Favored 'General case' 1 C--O 1.323 4.933 0 CA-C-O 122.664 1.221 . . . . 25.0 112.404 178.628 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.52 -40.88 93.48 Favored 'General case' 0 C--O 1.19 -2.063 1 O-C-N 115.493 -4.504 . . . . 25.0 116.077 172.504 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.07 -36.77 75.21 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 112.584 -2.098 . . . . 25.0 106.563 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.26 -32.71 73.45 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.32 -27.08 65.56 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 122.004 -0.435 . . . . 25.0 111.706 176.566 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -69.71 -13.37 62.26 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 113.872 1.064 . . . . 25.0 113.872 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -91.08 2.34 56.4 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.941 0.877 . . . . 25.0 108.834 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -138.48 -84.06 0.29 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.277 -0.874 . . . . 25.0 108.981 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 N--CA 1.425 -1.692 0 CA-C-O 126.869 3.223 . . . . 25.0 114.753 175.714 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 127.088 3.328 . . . . 25.0 119.673 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.2 t -77.79 119.08 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 112.979 -1.918 . . . . 25.0 108.109 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -85.6 88.22 7.5 Favored 'General case' 0 C--O 1.199 -1.581 0 O-C-N 121.295 -0.878 . . . . 25.0 109.461 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -136.65 -153.42 0.49 Allowed 'General case' 0 CA--C 1.571 1.78 0 CA-C-N 114.781 -1.099 . . . . 25.0 108.427 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -69.89 91.95 0.68 Allowed 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.559 -1.338 . . . . 25.0 109.679 172.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.9 111.29 18.65 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 m -129.3 174.24 9.79 Favored 'General case' 0 C--O 1.262 1.722 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.455 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 2.756 0 C-N-CA 125.356 1.463 . . . . 25.0 111.048 177.467 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.5 p -67.94 -10.22 51.56 Favored 'General case' 0 C--O 1.257 1.494 0 O-C-N 120.909 -1.12 . . . . 25.0 112.335 179.768 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -63.47 -43.69 96.61 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 118.114 -1.434 . . . . 25.0 113.087 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.63 -41.68 98.24 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 114.157 -1.383 . . . . 25.0 109.517 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.08 -43.36 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 -177.208 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.08 -41.7 99.48 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 179.015 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.52 98.45 Favored 'General case' 0 CA--C 1.558 1.285 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.75 -44.61 92.95 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.311 -0.852 . . . . 25.0 109.949 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.95 -38.46 82.5 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-N 119.521 1.055 . . . . 25.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.98 -41.92 77.22 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 115.187 -0.915 . . . . 25.0 110.685 -177.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.93 -32.89 15.75 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.677 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 -177.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 t -81.74 -34.78 30.32 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.383 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.1 168.58 13.54 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 114.222 0.449 . . . . 25.0 114.222 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -2.64 15.45 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 119.687 -2.067 . . . . 25.0 110.704 -177.484 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -3.6 58.6 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 123.967 0.792 . . . . 25.0 109.845 -176.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.91 -173.14 48.69 Favored Glycine 0 CA--C 1.49 -1.483 0 N-CA-C 107.667 -2.173 . . . . 25.0 107.667 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.16 -26.45 2.85 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 115.501 1.667 . . . . 25.0 115.501 -175.293 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -161.56 -166.24 1.46 Allowed 'General case' 0 C--O 1.208 -1.129 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -169.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 t80 63.96 58.98 1.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.186 1.394 . . . . 25.0 110.754 -177.749 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.28 83.54 1.68 Allowed 'General case' 0 C--O 1.246 0.909 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -62.14 131.04 93.34 Favored Pre-proline 0 C--O 1.245 0.859 0 N-CA-C 115.275 1.583 . . . . 25.0 115.275 -169.15 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -78.65 92.75 1.12 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 CA-C-O 122.265 0.86 . . . . 25.0 113.34 176.401 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.211 -0.938 0 CA-C-O 126.474 3.035 . . . . 25.0 110.64 177.91 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 3.881 0 CA-C-O 127.398 3.777 . . . . 25.0 113.602 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 mt -65.49 -26.44 39.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 111.36 -2.42 . . . . 25.0 106.156 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.3 m -64.38 -38.31 82.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 121.508 -0.745 . . . . 25.0 109.984 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -77.04 -28.48 54.85 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 178.141 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.48 -37.14 77.12 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.98 -38.41 69.72 Favored 'General case' 0 C--O 1.195 -1.789 0 C-N-CA 122.854 0.462 . . . . 25.0 111.921 178.087 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -57.13 -40.39 77.06 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.491 1.116 . . . . 25.0 112.744 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -83.83 -6.3 59.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 122.75 1.262 . . . . 25.0 110.067 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -118.98 -156.4 0.65 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.058 -0.974 . . . . 25.0 109.707 179.075 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.09 121.76 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 N-CA-C 102.652 -3.092 . . . . 25.0 102.652 174.361 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.75 140.36 29.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.021 -0.991 . . . . 25.0 110.156 -176.366 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.6 p -96.02 155.24 16.84 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -58.11 -33.73 69.44 Favored 'General case' 1 C--O 1.339 5.811 0 O-C-N 118.766 -2.459 . . . . 25.0 111.366 174.415 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.26 -50.67 66.69 Favored 'General case' 0 C--O 1.202 -1.416 1 O-C-N 115.643 -4.411 . . . . 25.0 110.785 174.489 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.23 -40.76 96.71 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 121.102 -0.999 . . . . 25.0 111.505 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -34.58 69.45 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 118.944 0.793 . . . . 25.0 111.698 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.12 -17.93 65.03 Favored 'General case' 0 CA--C 1.484 -1.578 0 N-CA-C 114.973 1.472 . . . . 25.0 114.973 179.367 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -15.72 62.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 120.038 -0.665 . . . . 25.0 111.932 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -87.73 -8.6 55.84 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 119.34 -0.944 . . . . 25.0 110.177 174.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.92 -148.88 0.41 Allowed 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 -174.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 126.998 3.285 . . . . 25.0 111.642 -179.091 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 114.904 1.446 . . . . 25.0 114.904 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -114.98 154.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -103.43 11.8 36.05 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.519 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.26 -156.88 0.6 Allowed 'General case' 0 C--O 1.256 1.423 0 C-N-CA 122.791 0.436 . . . . 25.0 110.297 -176.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -57.81 147.52 28.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.063 1.134 . . . . 25.0 114.063 -178.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.1 mt -126.8 99.03 5.59 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.219 1.009 . . . . 25.0 109.291 172.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -130.55 161.61 31.12 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 114.522 -1.217 . . . . 25.0 111.818 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.586 2.359 0 O-C-N 126.148 2.155 . . . . 25.0 110.224 173.365 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -48.51 -39.1 22.06 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.79 -1.194 . . . . 25.0 113.376 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -70.84 -37.38 73.15 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.175 -1.578 . . . . 25.0 111.068 -175.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.44 -43.21 67.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 106.402 -1.703 . . . . 25.0 106.402 -175.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.62 -44.42 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.585 178.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.71 -42.45 86.35 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.904 -1.518 . . . . 25.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.45 -33.22 72.24 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.87 -37.2 48.72 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 115.566 -0.743 . . . . 25.0 111.879 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.69 -43.62 96.08 Favored 'General case' 0 C--O 1.275 2.432 0 CA-C-O 117.954 -1.022 . . . . 25.0 109.353 172.37 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.65 -44.66 89.74 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.665 1.228 . . . . 25.0 113.762 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.21 -29.61 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 119.802 -0.759 . . . . 25.0 111.687 -178.289 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.4 m -77.12 -37.72 53.57 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 118.761 -1.176 . . . . 25.0 110.866 178.571 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.09 -178.36 18.22 Favored Glycine 0 C--O 1.209 -1.455 0 N-CA-C 109.379 -1.488 . . . . 25.0 109.379 -175.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -65.83 -22.75 66.57 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 122.229 1.014 . . . . 25.0 113.336 -171.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -20.27 65.6 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.24 -0.891 . . . . 25.0 112.746 175.239 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.53 -153.9 52.93 Favored Glycine 0 C--O 1.203 -1.783 0 CA-C-O 122.429 1.016 . . . . 25.0 111.792 177.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -143.29 153.6 42.93 Favored 'General case' 0 C--O 1.25 1.087 0 N-CA-C 106.957 -1.498 . . . . 25.0 106.957 -175.323 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -98.4 137.72 36.69 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 122.719 1.247 . . . . 25.0 113.091 -173.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -125.09 -52.39 1.65 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 113.195 -1.82 . . . . 25.0 107.718 177.283 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -153.91 157.19 38.85 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 105.885 -1.894 . . . . 25.0 105.885 177.311 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -110.51 100.82 46.65 Favored Pre-proline 0 C--N 1.303 -1.451 0 CA-C-N 119.907 1.23 . . . . 25.0 110.246 -179.256 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.18 100.3 1.28 Allowed 'Trans proline' 0 CA--C 1.563 1.927 0 C-N-CA 116.866 -1.622 . . . . 25.0 113.182 175.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 125.321 2.486 . . . . 25.0 111.7 174.711 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.787 0 N-CA-C 111.066 -0.813 . . . . 25.0 111.066 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt -54.24 -42.22 55.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 121.241 -1.152 . . . . 25.0 111.207 176.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.5 -40.81 90.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.142 -0.974 . . . . 25.0 111.53 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -80.05 -19.91 46.51 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 118.259 0.481 . . . . 25.0 111.384 -178.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -89.06 -34.41 16.79 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.976 1.473 . . . . 25.0 114.976 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m -116.27 -22.0 9.06 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 118.192 2.664 . . . . 25.0 118.192 -176.151 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.65 -9.85 39.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.082 -1.011 . . . . 25.0 111.329 -175.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.99 135.02 40.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 166.112 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 t 52.91 -144.34 0.65 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-N 116.482 -0.326 . . . . 25.0 110.75 -176.111 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.02 127.44 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 121.031 -1.043 . . . . 25.0 108.661 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.33 127.95 36.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 122.274 1.035 . . . . 25.0 112.242 -175.893 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.322 0.582 . . . . 25.0 111.268 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -61.44 -32.7 72.69 Favored 'General case' 1 C--O 1.37 7.395 0 C-N-CA 126.443 1.897 . . . . 25.0 109.902 174.765 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.3 -34.34 75.07 Favored 'General case' 0 C--O 1.196 -1.752 0 O-C-N 117.509 -3.244 . . . . 25.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.17 -38.66 35.34 Favored 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 107.59 -1.263 . . . . 25.0 107.59 -179.108 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.41 -27.86 62.75 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 176.424 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -63.65 -27.82 69.48 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 120.957 0.408 . . . . 25.0 112.097 175.567 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -66.48 -20.95 66.17 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.092 -1.005 . . . . 25.0 109.698 -179.118 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -84.33 3.16 37.02 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 t -125.5 -149.89 0.43 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.276 1.036 . . . . 25.0 109.399 178.025 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 . . . . . 0 C--O 1.199 -1.572 0 CA-C-O 124.468 2.08 . . . . 25.0 115.339 -179.818 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--O 1.176 -2.767 0 CA-C-O 121.665 0.745 . . . . 25.0 112.776 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 t -124.25 129.48 74.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 122.969 1.366 . . . . 25.0 110.138 -177.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -83.98 141.89 30.89 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.689 -1.597 . . . . 25.0 106.689 175.059 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.456 ' HG3' ' H ' ' B' ' 5' ' ' HIS . 6.3 tp-100 -157.07 -157.93 0.72 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 -177.646 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.456 ' H ' ' HG3' ' B' ' 4' ' ' GLN . 96.2 m-70 -73.69 69.81 1.33 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.508 1.123 . . . . 25.0 109.267 169.477 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.92 101.91 1.47 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.414 -171.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.52 -57.99 1.63 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.817 1.784 . . . . 25.0 115.817 -176.795 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.588 2.417 0 C-N-CA 128.349 2.66 . . . . 25.0 112.554 -174.752 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.6 t -56.93 -29.57 63.21 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 120.301 -1.5 . . . . 25.0 112.626 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -60.61 -36.46 78.65 Favored 'General case' 0 C--O 1.201 -1.484 0 O-C-N 118.899 -2.376 . . . . 25.0 115.059 172.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.86 -43.14 97.01 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.417 1.103 . . . . 25.0 109.237 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -61.33 -47.25 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.619 0 CA-C-N 114.904 -1.044 . . . . 25.0 109.385 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.0 -44.36 97.54 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 175.4 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.83 83.35 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 121.924 -0.485 . . . . 25.0 111.764 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -43.35 96.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.202 0.525 . . . . 25.0 110.397 177.229 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.59 -41.57 98.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.621 -1.172 . . . . 25.0 109.899 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.0 -47.11 81.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 118.664 -0.684 . . . . 25.0 110.356 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.65 -27.46 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 120.022 -0.671 . . . . 25.0 109.999 -169.289 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.24 -19.8 17.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.5 -0.75 . . . . 25.0 111.496 -175.531 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.6 172.11 33.32 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 120.692 -1.255 . . . . 25.0 112.12 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -69.68 -4.92 21.63 Favored 'General case' 0 C--O 1.25 1.117 0 CA-C-O 118.374 -0.822 . . . . 25.0 112.514 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.94 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.976 0.797 . . . . 25.0 112.464 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.57 169.5 40.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.595 1.184 . . . . 25.0 115.301 179.351 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -140.33 19.39 2.4 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 122.152 0.977 . . . . 25.0 108.651 -175.284 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -68.77 149.47 48.97 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -173.229 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -105.76 -26.98 11.55 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 124.531 2.11 . . . . 25.0 109.631 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.8 p -105.19 132.68 51.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 113.426 -1.715 . . . . 25.0 107.087 174.282 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -61.49 149.28 84.27 Favored Pre-proline 0 CA--C 1.572 1.819 0 C-N-CA 119.323 -0.951 . . . . 25.0 112.329 -176.117 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -75.91 87.99 1.35 Allowed 'Trans proline' 0 C--O 1.204 -1.2 0 CA-C-N 119.667 0.917 . . . . 25.0 113.935 175.248 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 N--CA 1.427 -1.584 0 CA-C-O 122.009 0.909 . . . . 25.0 111.657 176.764 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.304 0 CA-C-O 124.145 1.969 . . . . 25.0 113.603 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.83 -42.5 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 114.279 -0.96 . . . . 25.0 110.512 -177.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.947 -0.569 . . . . 25.0 110.351 173.139 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.39 -39.62 91.35 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.244 177.489 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -74.79 -38.72 62.06 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.284 0.476 . . . . 25.0 112.284 -178.019 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.0 -19.99 20.37 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 116.729 2.122 . . . . 25.0 116.729 -172.111 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -80.1 0.24 32.93 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 119.215 0.916 . . . . 25.0 109.848 177.621 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -127.72 157.81 39.32 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 103.996 -2.594 . . . . 25.0 103.996 176.772 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t 49.51 -154.34 0.11 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 122.813 0.445 . . . . 25.0 110.682 -171.315 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.28 134.13 45.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.271 0 O-C-N 121.972 -0.455 . . . . 25.0 110.97 178.354 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.43 121.6 40.57 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.568 1.167 . . . . 25.0 109.704 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -118.06 135.75 53.99 Favored 'General case' 0 C--O 1.265 1.919 0 CA-C-N 115.219 -0.9 . . . . 25.0 112.277 -173.116 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.02 -37.6 69.4 Favored 'General case' 1 C--O 1.324 4.996 0 O-C-N 125.193 1.558 . . . . 25.0 108.545 179.57 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -54.85 -39.41 68.59 Favored 'General case' 0 C--N 1.367 1.348 1 O-C-N 116.09 -4.131 . . . . 25.0 112.406 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.82 -33.12 46.36 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 119.029 -2.294 . . . . 25.0 112.484 -178.726 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.79 -28.41 69.97 Favored 'General case' 0 C--O 1.259 1.595 0 O-C-N 121.895 -0.503 . . . . 25.0 110.54 173.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -56.1 -30.33 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 119.448 -0.901 . . . . 25.0 111.033 175.317 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -65.25 -18.91 65.69 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 -176.104 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -96.59 1.43 51.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.691 -0.63 . . . . 25.0 112.253 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.7 t -77.29 -6.71 54.2 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.161 0.981 . . . . 25.0 108.813 172.183 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.187 -2.224 0 CA-C-O 126.15 2.881 . . . . 25.0 113.321 178.392 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 123.311 1.529 . . . . 25.0 113.803 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -59.93 146.96 9.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 113.085 -1.871 . . . . 25.0 111.946 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -81.64 -143.83 0.05 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.73 -1.123 . . . . 25.0 108.881 177.622 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -163.86 0.22 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-O 121.725 0.774 . . . . 25.0 110.05 171.882 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -92.19 95.29 9.65 Favored 'General case' 0 C--O 1.25 1.132 0 CA-C-N 114.464 -1.244 . . . . 25.0 111.921 -170.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.83 131.05 39.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.269 0.557 . . . . 25.0 111.525 179.261 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 97.4 m -136.26 169.48 17.57 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.746 -1.115 . . . . 25.0 112.131 -177.623 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.382 0 C-N-CA 127.016 2.126 . . . . 25.0 111.154 177.404 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 p -59.24 -34.61 72.42 Favored 'General case' 0 C--O 1.195 -1.798 0 O-C-N 120.601 -1.312 . . . . 25.0 112.006 -173.128 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -67.58 -34.57 77.3 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 120.565 -1.334 . . . . 25.0 111.237 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.41 -44.55 74.81 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 175.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-O 122.047 0.927 . . . . 25.0 110.257 -176.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -68.38 -34.98 77.03 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.22 -178.302 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.53 83.02 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 123.371 1.558 . . . . 25.0 111.314 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.64 -38.7 77.26 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-N 113.831 -1.531 . . . . 25.0 110.008 -178.749 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.05 -44.29 94.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 124.698 1.249 . . . . 25.0 110.358 174.059 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.06 -33.4 75.71 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.934 1.827 . . . . 25.0 115.934 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.58 -28.98 8.7 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 C-N-CA 119.549 -0.86 . . . . 25.0 112.479 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -91.38 -28.75 17.49 Favored 'General case' 0 C--O 1.278 2.572 0 CA-C-N 118.357 0.526 . . . . 25.0 110.877 -176.161 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 -179.37 28.05 Favored Glycine 0 N--CA 1.474 1.198 0 N-CA-C 109.326 -1.509 . . . . 25.0 109.326 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.87 -8.59 49.81 Favored 'General case' 0 C--O 1.194 -1.852 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 178.442 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.08 -28.25 69.48 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 118.774 -0.631 . . . . 25.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.35 158.19 32.57 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.582 -0.607 . . . . 25.0 111.582 178.035 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -123.41 173.77 7.78 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.938 -175.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.437 ' HD1' ' H ' ' B' ' 26' ' ' TYR . 0.5 OUTLIER -81.28 -162.34 0.49 Allowed 'General case' 0 C--O 1.203 -1.381 0 C-N-CA 123.525 0.73 . . . . 25.0 111.021 -171.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.437 ' H ' ' HD1' ' B' ' 25' ' ' PHE . 51.9 t80 71.56 112.77 0.06 Allowed 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 124.905 1.282 . . . . 25.0 112.128 177.421 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.8 47.44 24.55 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.206 1.558 . . . . 25.0 115.206 179.085 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -79.29 123.5 84.59 Favored Pre-proline 0 CA--C 1.562 1.417 0 O-C-N 120.918 -1.114 . . . . 25.0 109.559 176.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -75.1 107.91 2.59 Favored 'Trans proline' 0 C--O 1.243 0.773 0 C-N-CA 115.138 -2.774 . . . . 25.0 111.621 -177.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.203 -1.373 0 CA-C-O 123.447 1.594 . . . . 25.0 109.796 178.572 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.455 0 CA-C-O 124.219 2.011 . . . . 25.0 114.725 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.33 -42.45 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 O-C-N 119.962 -1.905 . . . . 25.0 111.721 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.09 -44.15 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 120.912 0.387 . . . . 25.0 110.268 178.376 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -67.52 -34.26 76.75 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.399 -0.364 . . . . 25.0 110.971 -173.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -90.93 -37.89 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -174.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.7 m -119.3 -3.25 10.54 Favored 'General case' 0 C--O 1.19 -2.031 0 N-CA-C 116.36 1.985 . . . . 25.0 116.36 -169.567 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -93.51 -38.32 11.46 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 119.448 1.022 . . . . 25.0 110.341 172.365 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -75.08 -13.18 60.46 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.33 0.586 . . . . 25.0 109.943 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -133.88 -162.81 1.28 Allowed 'General case' 0 C--O 1.261 1.659 0 N-CA-C 104.886 -2.264 . . . . 25.0 104.886 179.537 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -127.42 109.84 21.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.305 170.568 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -82.68 157.09 23.48 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.841 0.829 . . . . 25.0 112.7 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.1 m -83.68 158.14 21.94 Favored 'General case' 0 C--O 1.272 2.273 0 CA-C-N 114.047 -1.433 . . . . 25.0 109.586 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 -30.88 71.91 Favored 'General case' 1 C--O 1.319 4.732 0 O-C-N 120.372 -1.455 . . . . 25.0 111.201 -176.308 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -52.51 -54.97 25.54 Favored 'General case' 0 C--O 1.19 -2.037 0 O-C-N 119.443 -2.036 . . . . 25.0 111.092 169.285 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.3 -42.11 90.55 Favored 'General case' 0 C--O 1.183 -2.426 0 O-C-N 119.268 -2.145 . . . . 25.0 112.666 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.05 -28.63 64.69 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.033 -0.984 . . . . 25.0 112.914 175.572 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.16 -28.62 62.93 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.355 -1.338 . . . . 25.0 112.331 173.353 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.619 -0.676 . . . . 25.0 110.982 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.83 -11.02 54.44 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.281 0.562 . . . . 25.0 110.496 -178.01 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 t -99.0 -19.49 17.25 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 122.571 1.177 . . . . 25.0 107.836 174.365 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.17 -3.093 0 O-C-N 121.277 -0.89 . . . . 25.0 110.682 -170.502 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 122.523 1.154 . . . . 25.0 111.229 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.2 t -80.85 87.67 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -179.505 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -84.35 67.48 9.86 Favored 'General case' 0 C--O 1.199 -1.568 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 -178.696 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -124.9 179.08 5.17 Favored 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 105.874 -1.898 . . . . 25.0 105.874 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -41.63 117.44 0.92 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 174.237 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.16 84.73 6.13 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 113.974 -1.466 . . . . 25.0 113.117 -174.587 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.72 170.07 13.74 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.607 3.166 0 C-N-CA 127.028 2.131 . . . . 25.0 112.931 177.366 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -56.88 -32.76 66.19 Favored 'General case' 0 C--O 1.189 -2.126 0 N-CA-C 114.695 1.368 . . . . 25.0 114.695 -177.667 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' B' ' 10' ' ' HIS . 0.0 OUTLIER -72.28 -35.04 68.61 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 120.519 -1.363 . . . . 25.0 109.411 -175.854 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -43.9 89.98 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.043 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.27 -42.94 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.65 -0.657 . . . . 25.0 109.634 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -61.26 -49.21 78.0 Favored 'General case' 0 C--O 1.192 -1.942 0 O-C-N 121.628 -0.67 . . . . 25.0 111.271 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.46 88.1 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.608 -0.683 . . . . 25.0 110.832 178.52 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.377 -0.827 . . . . 25.0 111.731 178.154 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -65.7 -42.92 90.61 Favored 'General case' 0 C--O 1.199 -1.599 0 C-N-CA 124.466 1.106 . . . . 25.0 112.024 179.014 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.79 -40.59 83.91 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 176.134 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.59 -31.5 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.192 0 C-N-CA 119.657 -0.817 . . . . 25.0 112.54 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -13.41 18.67 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.899 -0.72 . . . . 25.0 112.26 -173.161 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -169.71 25.46 Favored Glycine 0 CA--C 1.537 1.422 0 N-CA-C 111.561 -0.616 . . . . 25.0 111.561 175.114 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.22 -25.5 64.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 O-C-N 121.45 -1.03 . . . . 25.0 111.176 -176.005 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -64.65 -32.88 74.74 Favored 'General case' 0 CA--C 1.481 -1.683 0 O-C-N 125.638 1.836 . . . . 25.0 108.029 -173.29 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.33 -176.41 38.13 Favored Glycine 0 C--O 1.211 -1.319 0 O-C-N 124.753 1.283 . . . . 25.0 111.04 172.147 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -87.36 -27.28 22.9 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 174.469 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 50.8 146.54 0.0 OUTLIER 'General case' 0 C--N 1.364 1.217 1 N-CA-C 122.708 4.336 . . . . 25.0 122.708 -178.569 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -139.23 143.63 38.11 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.347 -1.297 . . . . 25.0 108.561 172.254 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.1 p -130.25 69.21 1.44 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 122.432 1.11 . . . . 25.0 108.564 178.34 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -99.68 102.54 17.28 Favored Pre-proline 0 C--O 1.208 -1.086 0 CA-C-N 113.994 -1.457 . . . . 25.0 110.524 -175.276 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -75.52 83.61 1.87 Allowed 'Trans proline' 0 C--O 1.194 -1.685 0 C-N-CA 122.037 1.825 . . . . 25.0 112.633 -179.155 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.313 -0.989 0 O-C-N 119.379 -2.076 . . . . 25.0 110.292 -178.365 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.202 -1.88 0 CA-C-O 124.606 2.225 . . . . 25.0 113.277 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.28 -38.25 60.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 O-C-N 121.225 -1.162 . . . . 25.0 108.279 -179.164 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.32 -44.5 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 CA-C-O 118.141 -0.933 . . . . 25.0 109.956 -178.607 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.81 -48.45 81.75 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 119.955 -0.698 . . . . 25.0 110.493 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -71.28 -38.99 71.79 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 116.633 2.086 . . . . 25.0 116.633 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.6 t -105.43 -21.57 13.2 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 118.84 2.904 . . . . 25.0 118.84 -170.639 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -82.55 -15.05 53.74 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 119.038 -2.288 . . . . 25.0 109.001 -175.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -102.02 151.36 22.23 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 176.129 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m 55.6 -168.04 0.09 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 -171.647 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -76.78 -40.96 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.979 0 O-C-N 121.141 -0.974 . . . . 25.0 112.953 -172.514 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.6 t 66.2 80.84 0.21 Allowed 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 122.959 1.362 . . . . 25.0 111.547 -172.049 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -64.31 159.88 20.04 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.267 -0.896 . . . . 25.0 109.63 -169.586 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -53.87 -36.19 62.37 Favored 'General case' 1 C--O 1.348 6.243 0 CA-C-O 122.358 1.075 . . . . 25.0 110.995 178.706 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -54.5 -50.63 67.36 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 118.053 -2.904 . . . . 25.0 113.093 171.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.11 -40.3 94.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.328 -0.858 . . . . 25.0 110.373 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.05 -41.81 93.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.548 0.739 . . . . 25.0 111.945 -178.532 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -26.8 62.81 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-N 115.495 -0.775 . . . . 25.0 112.192 177.243 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.25 -17.78 62.47 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.943 1.247 . . . . 25.0 112.117 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -77.41 -4.34 44.82 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 121.306 -0.871 . . . . 25.0 111.638 174.767 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -95.37 -160.35 0.78 Allowed 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 122.095 0.95 . . . . 25.0 111.773 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 120.051 -1.655 . . . . 25.0 114.217 -174.983 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 CA--C 1.581 2.171 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.6 t -99.46 124.07 52.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 104.846 -2.279 . . . . 25.0 104.846 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -110.27 36.29 3.11 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.824 0.821 . . . . 25.0 112.229 -171.204 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -99.08 -157.95 0.64 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 113.752 -1.567 . . . . 25.0 109.268 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -69.34 91.14 0.53 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.259 -0.877 . . . . 25.0 111.819 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.82 124.39 21.87 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 178.633 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -158.83 171.02 20.83 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 176.267 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.977 0 C-N-CA 126.455 1.902 . . . . 25.0 112.959 -173.197 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 t -60.45 -29.43 69.03 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 123.687 0.795 . . . . 25.0 111.064 -178.325 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -69.8 -33.41 72.33 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.595 -1.316 . . . . 25.0 109.003 -174.659 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.58 -47.25 73.35 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 174.656 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.25 -48.77 76.15 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.179 0 C-N-CA 123.084 0.554 . . . . 25.0 110.577 178.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.04 -47.97 80.72 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.166 -0.959 . . . . 25.0 111.263 179.414 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.99 87.1 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 122.077 -0.389 . . . . 25.0 110.502 -178.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -37.4 85.96 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 123.786 0.679 . . . . 25.0 110.129 -178.661 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.37 -43.11 86.84 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.763 1.289 . . . . 25.0 110.865 176.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.37 -39.14 85.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.687 0.995 . . . . 25.0 113.687 179.162 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -79.68 -34.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.99 -1.084 . . . . 25.0 109.631 -175.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.35 -32.33 24.3 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.91 -1.744 . . . . 25.0 110.783 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.66 -174.88 15.54 Favored Glycine 0 C--O 1.211 -1.313 0 CA-C-O 122.501 1.056 . . . . 25.0 112.425 177.028 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -66.43 -27.8 68.12 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 121.902 0.858 . . . . 25.0 111.527 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.49 48.66 1.68 Allowed 'General case' 0 C--O 1.189 -2.106 0 CA-C-N 114.521 -1.218 . . . . 25.0 109.307 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.63 -176.96 1.67 Allowed Glycine 0 CA--C 1.551 2.317 0 N-CA-C 119.826 2.69 . . . . 25.0 119.826 -171.173 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -58.19 160.84 4.66 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 112.362 -1.919 . . . . 25.0 114.284 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.6 -166.07 1.06 Allowed 'General case' 0 C--O 1.213 -0.833 0 O-C-N 124.414 1.071 . . . . 25.0 112.081 -177.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 t80 49.41 73.1 0.26 Allowed 'General case' 0 C--O 1.265 1.88 0 N-CA-C 117.39 2.367 . . . . 25.0 117.39 -179.578 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.36 115.54 23.13 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 104.594 -2.373 . . . . 25.0 104.594 168.037 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.5 130.45 91.97 Favored Pre-proline 0 C--N 1.332 -0.177 0 O-C-N 121.683 -0.636 . . . . 25.0 111.032 -177.765 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.42 101.64 1.28 Allowed 'Trans proline' 0 C--O 1.209 -0.974 0 C-N-CA 117.209 -1.394 . . . . 25.0 112.693 173.419 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 CA--C 1.54 0.559 0 O-C-N 118.385 -2.697 . . . . 25.0 111.891 -177.908 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.423 0 N-CA-C 116.939 1.536 . . . . 25.0 116.939 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.0 mt -69.2 -39.57 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.174 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 174.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.86 -40.27 84.66 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.522 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.88 -26.44 61.44 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -177.294 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -83.96 -44.93 13.7 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 -23.1 11.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 118.071 2.619 . . . . 25.0 118.071 -170.405 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -81.18 -3.24 51.57 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 118.307 -1.357 . . . . 25.0 112.825 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -112.65 147.78 36.02 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 103.572 -2.751 . . . . 25.0 103.572 171.555 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t 56.3 -172.23 0.07 Allowed 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 122.127 0.965 . . . . 25.0 108.946 -168.196 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.7 mm -92.1 125.8 44.72 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 O-C-N 120.867 -1.146 . . . . 25.0 111.969 -172.577 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.31 153.94 18.27 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 121.821 -0.549 . . . . 25.0 109.76 -178.634 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -150.65 158.47 44.19 Favored 'General case' 0 C--O 1.198 -1.62 0 O-C-N 124.111 0.882 . . . . 25.0 111.298 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.46 -31.87 62.32 Favored 'General case' 1 C--O 1.306 4.043 0 CA-C-O 122.874 1.321 . . . . 25.0 109.085 176.537 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -51.79 -52.27 50.23 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 117.792 -3.067 . . . . 25.0 113.66 171.649 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.05 -39.31 83.05 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.876 -1.14 . . . . 25.0 112.202 174.57 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.37 -27.54 62.39 Favored 'General case' 0 C--O 1.263 1.796 0 N-CA-C 115.506 1.669 . . . . 25.0 115.506 179.62 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -60.84 -23.74 65.36 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 114.988 1.477 . . . . 25.0 114.988 172.77 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.11 -15.63 63.84 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.516 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -105.95 5.55 30.58 Favored 'General case' 0 C--O 1.193 -1.903 0 CA-C-O 122.422 1.106 . . . . 25.0 111.736 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.3 t -103.55 -35.29 8.36 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 122.218 1.009 . . . . 25.0 109.772 175.874 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.197 -1.695 0 CA-C-O 127.747 3.641 . . . . 25.0 116.354 -175.143 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.513 2.704 0 N-CA-C 115.74 1.756 . . . . 25.0 115.74 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -125.21 131.55 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 CA-C-N 114.139 -1.391 . . . . 25.0 108.145 -173.422 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -94.57 -104.25 0.14 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 174.55 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 54.85 -139.02 1.04 Allowed 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 176.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -107.83 73.83 0.92 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.468 1.031 . . . . 25.0 109.351 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.14 129.96 43.24 Favored 'General case' 0 C--O 1.269 2.097 0 N-CA-C 105.419 -2.067 . . . . 25.0 105.419 -179.146 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.34 170.61 21.87 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 -174.845 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.521 0 C-N-CA 126.509 1.923 . . . . 25.0 113.449 173.726 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t -57.26 -32.57 66.72 Favored 'General case' 0 C--N 1.375 1.684 0 CA-C-O 123.248 1.499 . . . . 25.0 110.852 -170.263 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -68.67 -39.49 80.58 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 122.29 1.043 . . . . 25.0 111.495 179.072 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.54 -40.81 69.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 119.276 -0.97 . . . . 25.0 110.824 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.37 -44.17 91.9 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-O 119.432 -0.318 . . . . 25.0 111.728 173.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.31 -41.75 97.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 122.393 1.092 . . . . 25.0 112.096 178.091 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.73 81.82 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 114.484 -1.234 . . . . 25.0 112.661 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -40.2 74.63 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 -179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' B' ' 21' ' ' GLU . 79.9 t80 -61.24 -39.44 90.32 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.17 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.94 -42.03 85.97 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 115.81 1.781 . . . . 25.0 115.81 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 m -77.27 -26.74 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.037 -1.039 . . . . 25.0 113.039 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.49 -39.57 14.09 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.549 1.166 . . . . 25.0 110.54 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.07 179.74 15.88 Favored Glycine 0 C--O 1.211 -1.319 0 N-CA-C 110.581 -1.008 . . . . 25.0 110.581 175.623 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' CZ ' ' B' ' 16' ' ' TYR . 96.5 mt-10 -69.98 -1.5 9.89 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 121.75 -0.853 . . . . 25.0 111.723 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.63 -10.78 59.72 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 116.066 -0.516 . . . . 25.0 110.185 -176.429 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -171.05 31.65 Favored Glycine 0 C--O 1.253 1.303 0 CA-C-O 117.496 -1.724 . . . . 25.0 109.521 178.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -153.37 -172.53 4.27 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.633 1.716 . . . . 25.0 107.33 -177.718 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -169.46 0.22 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 112.519 0.562 . . . . 25.0 112.519 -176.349 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.1 t80 74.43 104.79 0.07 Allowed 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 173.278 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m 53.55 77.73 0.17 Allowed 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 122.836 1.303 . . . . 25.0 114.136 179.109 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 54.2 mtpt -59.41 131.0 87.84 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 115.009 -0.996 . . . . 25.0 110.214 175.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 15.8 Cg_exo -76.94 59.36 6.43 Favored 'Trans proline' 0 C--O 1.201 -1.329 0 CA-C-O 123.541 1.392 . . . . 25.0 114.508 175.149 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.205 -1.254 0 O-C-N 118.864 -2.397 . . . . 25.0 110.802 -178.786 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 116.359 1.304 . . . . 25.0 116.359 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.1 mm -53.88 -43.05 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 -176.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.8 -46.57 79.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.946 -1.096 . . . . 25.0 111.316 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.75 -42.67 90.66 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 122.174 -0.329 . . . . 25.0 111.3 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -75.6 -38.77 58.78 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.92 -51.24 3.2 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.614 1.197 . . . . 25.0 113.958 -175.097 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.02 -18.48 53.49 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 118.467 2.765 . . . . 25.0 118.467 -171.584 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -63.72 -17.58 63.14 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.925 -1.109 . . . . 25.0 112.224 -179.019 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 t -145.91 -169.32 3.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 104.802 -2.296 . . . . 25.0 104.802 178.406 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.33 115.52 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 106.328 -1.73 . . . . 25.0 106.328 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -92.88 148.2 22.21 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-N 113.097 -1.865 . . . . 25.0 108.773 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -122.14 156.2 34.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 124.26 1.981 . . . . 25.0 112.377 -171.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.78 -31.05 71.94 Favored 'General case' 1 C--O 1.332 5.42 0 CA-C-N 114.307 -1.315 . . . . 25.0 108.091 -178.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.22 -50.08 74.0 Favored 'General case' 0 CA--C 1.481 -1.676 0 O-C-N 120.043 -1.661 . . . . 25.0 112.535 173.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -66.48 -35.75 81.03 Favored 'General case' 0 C--O 1.194 -1.853 0 CA-C-N 113.271 -1.786 . . . . 25.0 111.074 -179.062 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -58.23 -34.14 70.12 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.766 0.666 . . . . 25.0 111.803 177.504 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.61 -33.68 55.81 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 175.064 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -69.81 -7.23 38.11 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 121.944 -0.473 . . . . 25.0 111.911 -177.014 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -104.75 10.56 34.59 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 121.467 0.651 . . . . 25.0 110.016 -178.032 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -129.37 170.88 13.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 105.47 -2.048 . . . . 25.0 105.47 178.838 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 . . . . . 0 C--O 1.205 -1.249 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 173.827 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 116.002 1.852 . . . . 25.0 116.002 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.02 136.54 55.29 Favored 'Isoleucine or valine' 0 C--O 1.264 1.836 0 CA-C-N 113.383 -1.735 . . . . 25.0 107.415 175.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -93.6 104.47 16.58 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.78 -158.22 0.84 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 -178.475 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -83.31 76.08 9.92 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 107.124 -1.435 . . . . 25.0 107.124 179.11 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.19 106.81 1.76 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.471 -0.786 . . . . 25.0 109.184 -177.736 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.95 177.71 7.69 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 122.97 1.367 . . . . 25.0 110.242 176.657 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.265 0 C-N-CA 127.05 2.14 . . . . 25.0 112.17 -177.388 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -59.96 -33.78 72.39 Favored 'General case' 0 C--N 1.376 1.74 0 O-C-N 118.029 -2.919 . . . . 25.0 111.061 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -62.08 -30.88 71.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.763 -1.113 . . . . 25.0 113.853 176.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.94 -42.19 85.72 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 123.794 0.684 . . . . 25.0 110.213 177.119 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -64.94 -42.3 94.43 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 C-N-CA 123.146 0.578 . . . . 25.0 109.583 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -69.58 -39.23 77.46 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 124.444 1.09 . . . . 25.0 110.526 -179.253 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.03 -35.25 79.48 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 118.341 -1.344 . . . . 25.0 109.682 176.835 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -42.17 98.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 122.115 -0.366 . . . . 25.0 111.15 174.829 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.18 -41.04 92.05 Favored 'General case' 0 N--CA 1.416 -2.17 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 175.366 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.28 -38.98 91.93 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 115.064 -0.971 . . . . 25.0 113.207 177.199 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.45 -45.58 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 118.684 0.675 . . . . 25.0 111.351 176.633 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -16.51 45.5 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -171.94 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.86 -173.48 43.37 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 110.369 -1.092 . . . . 25.0 110.369 176.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.86 -4.52 13.01 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 113.98 1.104 . . . . 25.0 113.98 -179.196 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -65.2 -27.39 68.65 Favored 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.86 -176.84 10.77 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 120.47 -0.871 . . . . 25.0 113.754 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -150.03 158.53 44.25 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.26 168.07 11.14 Favored 'General case' 0 C--O 1.261 1.671 0 C-N-CA 122.938 0.495 . . . . 25.0 109.687 -177.636 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.02 61.0 1.45 Allowed 'General case' 0 C--O 1.27 2.175 0 O-C-N 125.653 1.845 . . . . 25.0 107.245 179.198 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.9 m 67.55 139.31 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 113.983 -1.462 . . . . 25.0 112.56 -179.027 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -79.96 130.06 68.11 Favored Pre-proline 0 C--O 1.24 0.596 0 O-C-N 118.759 -2.463 . . . . 25.0 107.611 -179.735 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.45 118.28 5.1 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 114.62 -3.12 . . . . 25.0 110.185 174.405 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 124.643 2.163 . . . . 25.0 112.985 -176.383 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -1.238 0 CA-C-O 123.866 1.814 . . . . 25.0 112.108 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.13 -37.74 80.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.787 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.72 -33.78 63.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 121.501 -0.75 . . . . 25.0 109.805 177.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -65.5 -43.45 90.12 Favored 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 118.244 -1.383 . . . . 25.0 109.405 175.109 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.46 -42.45 96.2 Favored 'General case' 0 C--O 1.182 -2.453 0 CA-C-O 117.653 -1.165 . . . . 25.0 109.037 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.59 -27.43 63.13 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.731 1.151 . . . . 25.0 110.888 -177.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.03 -44.89 79.09 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 121.539 -0.726 . . . . 25.0 110.91 176.27 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -91.02 -24.57 20.03 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-O 118.409 -0.805 . . . . 25.0 112.773 -175.563 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -133.34 164.3 27.42 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.231 0.957 . . . . 25.0 112.929 -177.39 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -64.51 136.55 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 120.348 -0.541 . . . . 25.0 111.939 -178.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -136.14 157.46 46.78 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 122.158 0.98 . . . . 25.0 111.061 173.529 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.7 p -94.42 169.62 10.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 116.906 2.187 . . . . 25.0 116.906 -168.831 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.35 -34.17 72.04 Favored 'General case' 1 C--O 1.35 6.357 0 O-C-N 119.254 -2.154 . . . . 25.0 111.403 168.389 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.89 -40.17 94.68 Favored 'General case' 0 C--O 1.198 -1.611 0 O-C-N 119.234 -2.167 . . . . 25.0 111.108 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -71.34 -42.02 69.06 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 114.704 -1.134 . . . . 25.0 109.592 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.76 -38.98 67.87 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.83 177.333 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.77 -26.73 65.95 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -176.863 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.98 -15.57 60.13 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 118.807 -0.616 . . . . 25.0 110.701 -173.811 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -70.25 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.222 0.919 . . . . 25.0 109.679 171.294 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.8 m -89.18 142.7 27.42 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 177.03 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 C--O 1.197 -1.693 0 CA-C-O 125.812 2.72 . . . . 25.0 112.575 -178.542 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 C--O 1.194 -1.837 0 CA-C-O 124.901 2.286 . . . . 25.0 114.944 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.23 136.6 26.2 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 CA-C-N 113.133 -1.849 . . . . 25.0 108.52 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -76.65 68.63 2.94 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 122.441 1.115 . . . . 25.0 113.552 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -126.76 7.64 6.81 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.75 -1.114 . . . . 25.0 110.431 -176.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 p80 35.69 64.35 0.49 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 177.658 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.95 138.49 50.07 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 103.226 -2.879 . . . . 25.0 103.226 177.116 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t -116.7 -155.82 0.6 Allowed 'General case' 0 C--O 1.254 1.307 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.587 2.397 0 CA-C-N 114.178 -1.374 . . . . 25.0 112.724 -179.103 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -55.36 -31.06 61.46 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 124.585 1.154 . . . . 25.0 110.532 178.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -71.15 -31.5 67.78 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.486 -2.009 . . . . 25.0 111.969 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.75 -35.64 72.75 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 178.194 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.73 -40.41 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.67 -37.71 85.31 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 121.314 0.578 . . . . 25.0 112.414 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.99 96.6 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 178.107 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 tp -61.13 -39.7 91.0 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.743 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.55 -42.21 98.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.456 0.646 . . . . 25.0 110.768 178.349 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.2 -43.32 99.06 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 122.69 1.233 . . . . 25.0 114.102 179.139 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 m -79.14 -26.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 O-C-N 120.907 -1.121 . . . . 25.0 113.073 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 -25.64 30.31 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 114.18 1.178 . . . . 25.0 114.18 176.697 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.71 169.56 34.01 Favored Glycine 0 CA--C 1.499 -0.937 0 N-CA-C 107.54 -2.224 . . . . 25.0 107.54 -177.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -63.38 -2.77 1.63 Allowed 'General case' 0 CA--C 1.572 1.826 0 CA-C-N 113.878 -1.161 . . . . 25.0 113.373 -177.411 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -23.53 61.04 Favored 'General case' 0 C--O 1.196 -1.737 0 O-C-N 123.945 0.778 . . . . 25.0 110.84 177.83 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.37 -170.88 41.35 Favored Glycine 0 C--O 1.181 -3.188 0 N-CA-C 109.594 -1.403 . . . . 25.0 109.594 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -143.83 -35.01 0.38 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.519 2.044 . . . . 25.0 116.519 -168.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -109.25 148.9 30.23 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.721 0.772 . . . . 25.0 111.805 -175.015 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -71.74 -36.62 70.51 Favored 'General case' 0 C--O 1.264 1.848 0 CA-C-N 114.79 -1.096 . . . . 25.0 109.996 177.005 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.5 m -110.12 113.15 25.62 Favored 'General case' 0 C--O 1.257 1.469 0 N-CA-C 103.802 -2.666 . . . . 25.0 103.802 174.477 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -131.79 151.15 78.08 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 119.597 -0.841 . . . . 25.0 109.563 -176.79 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.46 66.86 6.39 Favored 'Trans proline' 0 C--N 1.354 0.839 0 CA-C-O 122.693 1.039 . . . . 25.0 113.318 -179.719 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.212 -0.91 0 O-C-N 117.78 -3.075 . . . . 25.0 111.325 179.548 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.809 0 CA-C-O 124.165 1.981 . . . . 25.0 108.985 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.439 HG12 ' CD1' ' A' ' 19' ' ' TYR . 40.2 mt -51.99 -55.3 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 111.808 -2.196 . . . . 25.0 112.913 -175.687 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 m -73.53 -25.92 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 O-C-N 120.157 -1.589 . . . . 25.0 111.6 -176.84 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -69.41 -40.33 77.36 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.529 -0.732 . . . . 25.0 109.428 -177.144 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -74.34 -50.58 18.12 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 114.332 -1.304 . . . . 25.0 111.934 178.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.1 m -81.49 -16.7 51.06 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 115.288 1.588 . . . . 25.0 115.288 -172.264 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.98 -12.56 60.04 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 120.697 -1.252 . . . . 25.0 111.98 179.139 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 t -118.18 -7.88 10.72 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.714 1.245 . . . . 25.0 111.48 -178.824 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -128.95 176.53 7.8 Favored 'General case' 0 CA--C 1.484 -1.567 0 N-CA-C 104.785 -2.302 . . . . 25.0 104.785 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.29 109.92 30.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.7 m -93.72 107.64 19.49 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.142 -1.058 . . . . 25.0 108.142 -179.128 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -60.78 154.42 21.87 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.196 -0.911 . . . . 25.0 110.882 169.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' ' N ' ' B' ' 1' ' ' PHE . 8.5 mp -58.05 -31.25 66.86 Favored 'General case' 0 C--O 1.301 3.765 0 O-C-N 121.435 -0.79 . . . . 25.0 109.571 -177.729 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -55.73 -37.97 69.14 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 117.75 -3.094 . . . . 25.0 113.383 174.355 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -80.74 -38.85 27.96 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 113.673 -1.603 . . . . 25.0 109.333 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.78 -26.4 65.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 124.268 0.98 . . . . 25.0 110.303 177.556 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.92 -25.72 57.91 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.387 -0.821 . . . . 25.0 111.138 174.512 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -64.2 -22.8 67.08 Favored 'General case' 0 C--O 1.191 -2.025 0 CA-C-N 118.933 0.788 . . . . 25.0 112.58 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CD1' HG12 ' A' ' 2' ' ' ILE . 46.0 m-85 -89.44 -8.38 53.11 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 121.348 -0.845 . . . . 25.0 111.236 -179.356 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.5 m -98.83 -13.64 20.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.661 -1.154 . . . . 25.0 110.265 174.212 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.209 -1.05 0 CA-C-O 124.471 2.081 . . . . 25.0 112.233 -175.076 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.522 ' N ' ' H ' ' A' ' 13' ' ' LEU . 5.3 m-85 . . . . . 0 C--O 1.184 -2.361 0 CA-C-O 123.098 1.428 . . . . 25.0 113.573 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.43 131.5 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.122 0 N-CA-C 107.72 -1.215 . . . . 25.0 107.72 -177.259 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -148.4 -152.71 0.45 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 107.129 -1.434 . . . . 25.0 107.129 179.14 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -91.95 -179.35 5.27 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 118.693 0.679 . . . . 25.0 110.318 169.347 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -63.57 -50.55 69.04 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.267 1.21 . . . . 25.0 114.267 -176.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.7 mt 63.27 -174.81 0.15 Allowed 'General case' 0 C--O 1.198 -1.618 0 O-C-N 124.989 1.431 . . . . 25.0 108.852 -171.297 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -172.55 -55.26 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.95 0 O-C-N 121.07 -1.018 . . . . 25.0 109.905 -174.147 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.587 2.386 0 CA-C-O 124.014 1.864 . . . . 25.0 110.887 -178.684 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -47.14 -32.43 4.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 129.722 3.209 . . . . 25.0 114.088 -173.32 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -57.26 -31.21 65.34 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 175.011 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -75.75 -44.07 43.54 Favored 'General case' 0 C--O 1.247 0.957 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 -175.016 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.5 -37.26 77.4 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 176.434 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.7 -39.58 84.39 Favored 'General case' 0 C--O 1.184 -2.383 0 O-C-N 120.456 -1.403 . . . . 25.0 110.248 177.713 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.79 92.51 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 177.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 tp -66.45 -39.47 88.89 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.334 -0.841 . . . . 25.0 110.372 -178.588 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.045 0.938 . . . . 25.0 111.894 173.008 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.63 -40.6 95.45 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 179.157 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -81.51 -29.24 10.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.973 0 C-N-CA 118.61 -1.236 . . . . 25.0 112.029 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.7 -33.2 31.29 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 119.077 0.853 . . . . 25.0 112.994 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.62 -171.28 52.68 Favored Glycine 0 C--O 1.204 -1.763 0 N-CA-C 111.16 -0.776 . . . . 25.0 111.16 -169.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.93 -1.59 2.11 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.27 1.582 . . . . 25.0 115.27 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -12.24 60.21 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 -175.636 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 172.08 45.1 Favored Glycine 0 C--N 1.293 -1.837 0 N-CA-C 108.679 -1.768 . . . . 25.0 108.679 172.462 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -161.31 169.85 21.3 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 118.946 -0.549 . . . . 25.0 110.444 -172.186 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.82 171.09 4.62 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 122.318 1.056 . . . . 25.0 113.245 -174.143 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 57.29 70.39 0.66 Allowed 'General case' 0 C--O 1.243 0.733 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -177.307 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.1 t -117.02 36.14 4.34 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 105.721 -1.955 . . . . 25.0 105.721 175.131 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -88.15 116.05 65.03 Favored Pre-proline 0 C--N 1.294 -1.83 0 O-C-N 121.69 -0.631 . . . . 25.0 111.36 177.075 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.06 123.26 8.23 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 117.236 -1.376 . . . . 25.0 112.562 176.039 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.206 -1.222 0 N-CA-C 115.449 1.648 . . . . 25.0 115.449 -176.166 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.904 0 CA-C-O 123.563 1.646 . . . . 25.0 115.882 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.88 -32.93 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 119.387 -2.243 . . . . 25.0 108.492 178.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.1 -31.93 52.15 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.216 0 O-C-N 121.262 -0.899 . . . . 25.0 111.049 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.33 -36.55 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.643 -0.66 . . . . 25.0 110.245 176.924 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -61.12 -39.48 90.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.451 170.655 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -34.91 76.98 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.93 -1.106 . . . . 25.0 110.495 179.647 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -70.16 -41.67 73.52 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.39 -0.818 . . . . 25.0 111.862 179.614 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.61 -14.07 61.53 Favored 'General case' 0 C--N 1.308 -1.199 0 O-C-N 123.686 0.616 . . . . 25.0 111.852 179.451 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -118.83 -141.58 0.36 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 102.416 -3.179 . . . . 25.0 102.416 179.692 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -125.37 124.81 67.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 103.515 -2.772 . . . . 25.0 103.515 175.164 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.5 m -72.35 166.88 21.62 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.025 0.917 . . . . 25.0 111.85 -173.71 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -133.34 155.6 49.15 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.855 -1.153 . . . . 25.0 108.169 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.48 -36.83 85.04 Favored 'General case' 1 C--O 1.325 5.054 0 O-C-N 119.006 -2.309 . . . . 25.0 111.126 -177.403 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.93 -40.25 97.05 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 117.941 -2.974 . . . . 25.0 113.11 -179.565 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -64.43 -44.82 90.0 Favored 'General case' 0 C--N 1.377 1.786 0 CA-C-N 115.194 -0.912 . . . . 25.0 109.98 174.013 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 3.4 mp -55.95 -36.41 67.75 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 114.731 1.382 . . . . 25.0 114.731 -179.024 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.78 -27.95 53.62 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.293 1.22 . . . . 25.0 114.293 172.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -75.76 -14.39 60.32 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 123.117 1.437 . . . . 25.0 110.921 -176.107 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 11.2 m-85 -89.23 -1.76 58.21 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.281 -0.887 . . . . 25.0 109.32 178.469 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.15 2.3 12.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.438 -0.801 . . . . 25.0 111.019 176.421 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 . . . . . 0 CA--C 1.559 1.316 0 CA-C-O 125.418 2.532 . . . . 25.0 111.481 -169.12 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 125.822 2.725 . . . . 25.0 113.251 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 69.8 t -104.83 125.2 59.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 119.436 -2.04 . . . . 25.0 107.251 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -126.66 129.19 47.98 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.408 0.623 . . . . 25.0 111.111 -176.718 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -127.67 -146.64 0.33 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.755 176.505 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.14 79.61 7.76 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.38 124.32 23.19 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 -178.194 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.24 178.94 9.64 Favored 'General case' 0 C--N 1.32 -0.677 1 N-CA-C 99.32 -4.326 . . . . 25.0 99.32 178.33 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.421 0 C-N-CA 128.019 2.528 . . . . 25.0 111.53 175.449 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.8 t -60.79 -31.8 71.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.181 -1.574 . . . . 25.0 110.662 -177.006 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -60.67 -39.02 86.88 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 120.451 -1.406 . . . . 25.0 112.572 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.82 -35.9 77.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.824 -0.751 . . . . 25.0 111.461 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.86 -43.94 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.272 1.034 . . . . 25.0 111.808 177.539 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.11 -47.8 82.98 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 177.44 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.16 86.72 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.891 0.769 . . . . 25.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.28 -41.8 85.16 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 119.902 -0.719 . . . . 25.0 111.695 175.944 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.67 -47.99 78.61 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 118.263 -0.875 . . . . 25.0 112.436 172.43 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.1 -39.35 86.72 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 124.011 0.82 . . . . 25.0 111.358 -177.438 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -85.88 -31.08 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 N-CA-C 114.321 1.23 . . . . 25.0 114.321 -176.585 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -104.66 -31.29 9.45 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 121.312 -0.867 . . . . 25.0 112.753 -179.148 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.81 -178.98 35.28 Favored Glycine 0 CA--C 1.555 2.584 0 N-CA-C 108.464 -1.855 . . . . 25.0 108.464 -168.718 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.79 8.98 1.25 Allowed 'General case' 0 CA--C 1.57 1.74 0 CA-C-N 118.331 1.065 . . . . 25.0 111.906 176.122 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -24.43 46.07 Favored 'General case' 0 C--O 1.194 -1.852 0 O-C-N 121.461 -0.775 . . . . 25.0 110.221 174.12 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.14 -122.76 4.93 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-O 123.551 1.64 . . . . 25.0 109.675 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.11 166.55 9.38 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.242 -1.74 . . . . 25.0 114.257 -170.611 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -138.45 161.91 35.81 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.751 -2.314 . . . . 25.0 104.751 164.566 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 20.13 0.16 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.12 1.526 . . . . 25.0 115.12 -178.314 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.7 t 33.53 53.22 0.44 Allowed 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.424 2.009 . . . . 25.0 116.424 178.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -63.08 121.89 71.84 Favored Pre-proline 0 C--N 1.308 -1.196 0 N-CA-C 115.11 1.522 . . . . 25.0 115.11 -178.086 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.32 89.79 1.3 Allowed 'Trans proline' 0 CA--C 1.545 1.053 0 CA-C-O 123.362 1.317 . . . . 25.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.478 0.939 0 O-C-N 118.795 -2.441 . . . . 25.0 111.79 177.717 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.394 0 CA-C-O 125.513 2.73 . . . . 25.0 117.277 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.47 -38.5 81.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 119.295 -2.297 . . . . 25.0 111.298 -176.428 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -73.49 -40.52 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 -175.036 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.147 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -62.93 -41.48 99.49 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 118.409 0.549 . . . . 25.0 109.819 178.524 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -29.88 70.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 120.547 -1.345 . . . . 25.0 112.134 178.827 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -72.42 -57.72 3.96 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -74.39 -24.36 59.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.456 -1.402 . . . . 25.0 111.895 -170.042 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -132.78 -133.56 0.18 Allowed 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 117.889 -1.053 . . . . 25.0 111.965 -176.645 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.7 mm -110.79 -55.49 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 123.876 0.735 . . . . 25.0 111.626 -174.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 55.61 179.5 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 122.979 1.371 . . . . 25.0 111.799 -174.59 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -136.47 151.56 49.59 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.655 -1.903 . . . . 25.0 115.535 -176.25 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.04 -32.67 72.29 Favored 'General case' 1 C--O 1.358 6.8 0 CA-C-O 122.737 1.255 . . . . 25.0 110.76 176.353 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.33 -33.54 59.15 Favored 'General case' 0 C--O 1.205 -1.272 1 O-C-N 115.514 -4.491 . . . . 25.0 115.204 170.603 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.52 -41.36 32.5 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 119.929 -1.732 . . . . 25.0 106.757 177.429 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.29 -20.79 45.56 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 124.693 1.245 . . . . 25.0 111.078 -179.148 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.83 -27.47 42.29 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 119.638 1.108 . . . . 25.0 111.95 174.096 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -61.38 -25.07 66.93 Favored 'General case' 0 C--O 1.204 -1.309 0 O-C-N 121.51 -0.744 . . . . 25.0 112.386 -179.532 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -84.88 1.82 45.4 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.489 0.922 . . . . 25.0 113.489 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.57 178.36 7.16 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 121.243 -0.911 . . . . 25.0 111.733 -175.377 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 124.631 2.158 . . . . 25.0 112.783 171.334 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 118.224 2.675 . . . . 25.0 118.224 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.16 120.03 23.98 Favored 'Isoleucine or valine' 0 C--O 1.26 1.63 0 N-CA-C 103.646 -2.724 . . . . 25.0 103.646 168.388 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -128.9 162.95 26.35 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 111.955 0.354 . . . . 25.0 111.955 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -131.59 -174.07 3.3 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 104.885 -2.265 . . . . 25.0 104.885 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -58.62 131.85 52.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.968 0.804 . . . . 25.0 112.653 177.185 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -126.0 125.0 41.95 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.863 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -150.48 -53.62 0.15 Allowed 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 122.372 1.082 . . . . 25.0 112.381 -177.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.309 0 C-N-CA 128.101 2.56 . . . . 25.0 112.445 172.022 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p -50.07 -35.35 24.91 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 120.29 -1.506 . . . . 25.0 114.123 -179.057 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -66.6 -26.35 67.05 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.71 1.004 . . . . 25.0 113.71 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.67 -45.67 82.03 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -63.78 -46.27 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.097 0.873 . . . . 25.0 110.104 177.869 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.85 -39.95 72.19 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.435 -1.269 . . . . 25.0 109.619 176.905 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.65 77.21 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 119.298 0.954 . . . . 25.0 111.572 -177.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -45.95 86.81 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 115.777 -0.647 . . . . 25.0 110.146 176.5 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -62.47 -41.08 98.52 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.115 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.0 -41.71 90.7 Favored 'General case' 0 C--O 1.199 -1.559 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -80.25 -30.71 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 C-N-CA 118.538 -1.265 . . . . 25.0 112.684 -174.707 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -82.89 -38.59 22.7 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 118.721 -0.657 . . . . 25.0 110.79 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.1 174.77 14.2 Favored Glycine 0 CA--C 1.489 -1.552 0 CA-C-O 117.4 -1.778 . . . . 25.0 113.199 179.394 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.26 -14.59 63.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.636 1.718 . . . . 25.0 111.877 -176.658 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -15.99 63.37 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 113.57 -1.65 . . . . 25.0 113.031 -179.667 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.02 -167.78 54.7 Favored Glycine 0 C--O 1.193 -2.464 0 CA-C-O 122.185 0.88 . . . . 25.0 113.537 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -131.93 164.7 25.55 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 122.257 1.027 . . . . 25.0 108.363 -174.388 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.85 162.77 26.62 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 121.6 -0.688 . . . . 25.0 109.865 -174.044 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -110.89 -153.44 0.52 Allowed 'General case' 0 C--O 1.251 1.183 0 N-CA-C 106.107 -1.812 . . . . 25.0 106.107 172.161 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.72 100.38 6.88 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 174.527 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -141.03 152.75 65.94 Favored Pre-proline 0 N--CA 1.468 0.427 0 O-C-N 124.909 1.381 . . . . 25.0 110.951 -176.064 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -76.77 100.58 1.41 Allowed 'Trans proline' 0 CA--C 1.539 0.765 0 CA-C-O 123.218 1.257 . . . . 25.0 112.309 177.807 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.32 -0.675 0 O-C-N 118.592 -2.567 . . . . 25.0 113.221 -173.628 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.179 -3.29 0 N-CA-C 119.48 2.552 . . . . 25.0 119.48 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -56.66 -47.35 82.47 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.825 0 O-C-N 120.071 -1.841 . . . . 25.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.07 -35.08 70.31 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 119.919 -1.738 . . . . 25.0 109.373 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.29 -45.06 67.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -178.497 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -69.88 -36.61 75.59 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 117.936 -1.031 . . . . 25.0 111.1 -175.033 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.22 -13.01 11.78 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 117.983 2.586 . . . . 25.0 117.983 -171.908 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.38 -17.9 60.09 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.08 -1.013 . . . . 25.0 111.265 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 t -73.6 -5.44 40.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.367 1.467 . . . . 25.0 112.717 -175.83 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -149.75 -179.96 7.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.926 1.29 . . . . 25.0 110.447 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -77.3 99.87 2.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 175.005 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -75.86 113.91 13.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.067 -178.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -79.12 157.61 27.91 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.856 -1.164 . . . . 25.0 107.856 -169.934 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.444 HD13 ' H ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.45 -36.7 69.34 Favored 'General case' 0 C--O 1.301 3.776 0 C-N-CA 119.537 -0.865 . . . . 25.0 109.454 171.241 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' H ' HD13 ' A' ' 13' ' ' LEU . 19.0 t80 -64.81 -37.51 87.86 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 119.008 -2.307 . . . . 25.0 112.427 -178.04 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -72.28 -43.55 64.09 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 114.297 -1.319 . . . . 25.0 109.58 177.501 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.47 -30.12 70.4 Favored 'General case' 0 C--O 1.182 -2.471 0 O-C-N 121.292 -0.88 . . . . 25.0 112.207 178.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -61.92 -22.72 65.84 Favored 'General case' 0 C--O 1.184 -2.344 0 N-CA-C 113.178 0.807 . . . . 25.0 113.178 174.524 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -78.86 -3.41 44.52 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 119.127 -2.233 . . . . 25.0 113.728 178.01 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -102.35 -9.78 20.04 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.641 1.21 . . . . 25.0 109.561 175.752 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.1 t -83.54 146.76 28.16 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 114.811 -1.086 . . . . 25.0 109.714 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--O 1.209 -1.068 0 CA-C-O 125.437 2.541 . . . . 25.0 110.467 -178.888 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 123.154 1.454 . . . . 25.0 114.545 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.7 t -78.42 88.4 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 O-C-N 119.688 -1.882 . . . . 25.0 112.469 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -77.01 18.62 0.35 Allowed 'General case' 0 C--O 1.19 -2.051 0 CA-C-N 114.751 -1.113 . . . . 25.0 113.178 174.69 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -111.85 -4.92 14.45 Favored 'General case' 0 N--CA 1.412 -2.327 0 C-N-CA 122.643 0.377 . . . . 25.0 111.43 178.284 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.96 17.03 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 121.46 3.874 . . . . 25.0 121.46 174.859 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.65 147.36 22.76 Favored 'General case' 0 C--O 1.259 1.568 0 CA-C-O 123.241 1.496 . . . . 25.0 111.566 174.545 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m -120.4 -125.1 0.27 Allowed 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 113.298 -1.774 . . . . 25.0 113.436 -174.7 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.618 3.575 0 C-N-CA 129.273 3.029 . . . . 25.0 114.071 -169.018 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.06 -13.48 0.19 Allowed 'General case' 0 C--N 1.362 1.121 0 C-N-CA 127.918 2.487 . . . . 25.0 112.575 170.524 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -68.86 -35.34 76.8 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 115.878 1.807 . . . . 25.0 115.878 -175.138 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.85 -38.36 90.73 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 118.035 0.38 . . . . 25.0 111.184 173.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 t -66.26 -41.61 89.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 176.635 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -67.43 -36.77 81.87 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.21 -0.996 . . . . 25.0 111.209 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.85 80.74 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.57 -44.73 85.53 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.701 -0.681 . . . . 25.0 111.42 175.383 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -61.96 -42.53 99.22 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.435 -0.793 . . . . 25.0 110.524 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.33 -44.57 96.96 Favored 'General case' 0 N--CA 1.514 2.727 0 CA-C-N 119.199 0.909 . . . . 25.0 112.894 178.462 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.29 -27.63 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.974 0 O-C-N 123.694 0.621 . . . . 25.0 111.412 -178.687 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 -28.7 24.93 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-O 123.413 1.578 . . . . 25.0 109.602 -177.576 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.52 -174.08 20.79 Favored Glycine 0 C--O 1.247 0.915 0 N-CA-C 105.483 -3.047 . . . . 25.0 105.483 174.242 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.64 -10.54 59.92 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -72.32 -25.06 61.42 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.239 0.543 . . . . 25.0 109.708 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.39 -175.89 32.21 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 122.966 1.314 . . . . 25.0 113.327 172.396 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -135.51 155.68 50.11 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.388 -1.066 . . . . 25.0 109.115 -175.335 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.38 150.89 25.05 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 121.815 -0.553 . . . . 25.0 111.703 -177.144 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -83.84 108.75 17.05 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.314 -0.995 . . . . 25.0 108.314 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -81.78 8.41 10.19 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 -179.299 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.62 139.8 97.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 113.539 0.94 . . . . 25.0 113.539 -177.696 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -83.3 49.6 3.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 CA-C-O 122.663 1.026 . . . . 25.0 112.017 176.772 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.348 0.536 0 CA-C-O 124.424 2.059 . . . . 25.0 113.894 178.922 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.967 0 CA-C-O 125.822 2.901 . . . . 25.0 112.405 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.82 -35.84 70.21 Favored 'Isoleucine or valine' 0 C--O 1.167 -3.257 0 CA-C-N 109.665 -3.268 . . . . 25.0 109.426 -177.916 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.68 -34.86 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 O-C-N 120.414 -1.429 . . . . 25.0 113.765 173.59 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.1 -35.97 74.52 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.537 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.75 -42.94 99.91 Favored 'General case' 0 C--O 1.199 -1.574 0 CA-C-N 114.028 -1.442 . . . . 25.0 110.072 175.747 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.7 m -68.35 -21.17 64.74 Favored 'General case' 0 C--O 1.197 -1.662 0 CA-C-N 115.232 -0.895 . . . . 25.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.07 -42.08 16.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 175.226 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -86.5 -16.53 36.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.201 -1.562 . . . . 25.0 115.212 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -128.71 -176.37 3.82 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 -174.003 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.23 132.39 31.67 Favored 'Isoleucine or valine' 0 C--O 1.251 1.149 0 CA-C-O 121.702 0.763 . . . . 25.0 109.555 178.209 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -100.83 162.92 12.57 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.041 -175.635 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -130.77 159.72 36.48 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 123.473 1.606 . . . . 25.0 112.817 177.192 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.56 -37.0 77.31 Favored 'General case' 1 C--O 1.319 4.747 0 O-C-N 119.455 -2.028 . . . . 25.0 110.576 177.627 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -63.34 -38.98 93.25 Favored 'General case' 0 C--O 1.201 -1.495 0 O-C-N 117.225 -3.422 . . . . 25.0 111.9 177.518 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.09 -40.89 95.26 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.733 0.778 . . . . 25.0 109.868 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.67 -38.81 75.77 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 113.64 -1.618 . . . . 25.0 112.404 -175.862 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.98 -25.43 63.59 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 116.006 1.854 . . . . 25.0 116.006 -178.938 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -71.29 -11.48 60.94 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -179.674 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -96.21 12.08 32.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 120.147 -0.621 . . . . 25.0 110.074 174.033 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -126.62 177.82 6.28 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 . . . . . 0 CA--C 1.573 1.845 0 CA-C-O 126.908 3.242 . . . . 25.0 111.525 173.311 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 121.545 0.688 . . . . 25.0 111.996 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -85.14 132.82 30.8 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 -175.836 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -79.81 125.45 29.71 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.86 -0.792 . . . . 25.0 108.86 177.587 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -150.8 -162.95 1.66 Allowed 'General case' 0 C--O 1.249 1.077 0 C-N-CA 119.908 -0.717 . . . . 25.0 111.398 -175.463 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -72.3 150.05 43.9 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.551 0.532 . . . . 25.0 110.135 175.924 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -133.73 90.8 2.75 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 118.47 0.577 . . . . 25.0 110.194 171.916 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.5 m -96.47 161.91 13.7 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 175.617 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.612 3.327 0 C-N-CA 126.71 2.004 . . . . 25.0 115.232 179.677 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -64.71 -30.89 71.92 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 125.697 1.599 . . . . 25.0 110.319 -176.294 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -64.1 -34.53 78.26 Favored 'General case' 0 CA--C 1.561 1.377 0 CA-C-N 119.891 1.223 . . . . 25.0 111.547 -178.453 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.4 -39.63 81.61 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-O 121.907 0.86 . . . . 25.0 109.733 177.12 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.07 -44.68 99.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.417 -0.802 . . . . 25.0 109.541 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.36 -42.19 98.87 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.361 0.601 . . . . 25.0 111.273 178.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.52 84.61 Favored 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 177.265 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.55 -44.61 95.93 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 176.104 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.8 -41.35 97.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 118.831 -0.604 . . . . 25.0 110.643 179.825 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.94 -44.74 84.18 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 120.336 -0.546 . . . . 25.0 109.753 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -81.29 -25.28 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.01 0 N-CA-C 116.645 2.091 . . . . 25.0 116.645 -175.749 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.59 -5.82 8.12 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 119.056 -1.058 . . . . 25.0 113.667 -171.098 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.21 -166.11 13.31 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.958 -0.639 . . . . 25.0 113.136 172.418 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.52 79.31 0.27 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -175.691 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.421 ' HA ' ' CZ ' ' B' ' 24' ' ' PHE . 0.0 OUTLIER 51.78 30.72 7.23 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 169.331 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.66 9.56 64.81 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 120.495 -0.859 . . . . 25.0 113.498 -179.17 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' B' ' 22' ' ' ARG . 0.1 OUTLIER -98.51 -53.23 3.39 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 117.499 0.649 . . . . 25.0 112.043 -173.794 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -156.86 -167.98 2.53 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 -170.636 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 71.32 32.93 2.05 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 125.447 1.717 . . . . 25.0 110.948 175.449 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -124.44 104.29 8.67 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 113.526 -1.67 . . . . 25.0 107.067 173.825 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -142.17 132.81 12.77 Favored Pre-proline 0 C--O 1.217 -0.618 0 N-CA-C 106.098 -1.816 . . . . 25.0 106.098 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -78.02 75.38 4.85 Favored 'Trans proline' 0 CA--C 1.563 1.951 0 CA-C-O 122.179 0.825 . . . . 25.0 112.425 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.209 -1.028 0 CA-C-O 123.396 1.569 . . . . 25.0 112.516 -176.193 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 CA-C-O 123.634 1.686 . . . . 25.0 112.23 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.16 -48.24 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.636 1.974 . . . . 25.0 112.052 -174.325 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 m -72.13 -32.67 44.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 120.44 -0.504 . . . . 25.0 110.415 177.869 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.5 -38.31 90.59 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 123.797 0.686 . . . . 25.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -80.61 -38.87 28.5 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 124.735 1.272 . . . . 25.0 112.318 -177.108 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.73 -22.94 3.79 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 119.337 3.088 . . . . 25.0 119.337 -170.635 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.59 -32.5 62.38 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.393 -1.442 . . . . 25.0 108.515 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -88.25 147.18 24.95 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 173.277 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t 56.92 -157.32 0.28 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 117.054 -1.45 . . . . 25.0 112.165 -171.396 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -100.46 122.96 53.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 -174.861 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.87 129.03 34.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 177.894 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -91.15 152.45 20.57 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 121.855 -0.528 . . . . 25.0 110.913 176.054 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.704 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.86 -29.79 70.3 Favored 'General case' 1 C--O 1.321 4.837 0 CA-C-O 123.075 1.417 . . . . 25.0 112.543 178.219 . . . . . . . . 4 4 . 1 . 035 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -58.47 -41.27 84.87 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 116.691 -3.756 . . . . 25.0 114.595 165.556 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.08 -43.14 65.32 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 118.365 -2.709 . . . . 25.0 107.942 -175.444 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.47 -39.03 82.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.335 -0.848 . . . . 25.0 111.936 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.47 -19.92 65.15 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 117.967 -1.493 . . . . 25.0 112.498 -177.08 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -68.62 -20.11 64.47 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -176.198 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.97 9.93 23.31 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 -178.393 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.5 m -74.93 -12.17 60.29 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 119.032 0.833 . . . . 25.0 109.802 173.873 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--O 1.207 -1.134 0 CA-C-O 124.553 2.121 . . . . 25.0 108.706 164.462 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.2 t80 . . . . . 0 CA--C 1.484 -1.582 0 CA-C-O 124.706 2.193 . . . . 25.0 109.315 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t -96.55 120.51 45.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 O-C-N 119.86 -1.775 . . . . 25.0 109.24 -176.904 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -79.97 96.76 6.51 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 116.183 -0.462 . . . . 25.0 109.991 176.538 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -148.27 173.61 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 -179.607 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.44 72.25 10.25 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 122.519 1.152 . . . . 25.0 108.046 176.006 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -78.9 91.75 4.82 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 122.972 1.367 . . . . 25.0 109.073 -174.445 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.4 m -106.63 -179.26 3.89 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.258 -179.871 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.671 0 C-N-CA 127.409 2.283 . . . . 25.0 112.213 174.578 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.8 t -53.19 -40.4 64.38 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 121.666 0.746 . . . . 25.0 111.32 177.815 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.77 -18.33 64.83 Favored 'General case' 0 CA--C 1.567 1.613 0 O-C-N 121.572 -0.705 . . . . 25.0 112.29 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.2 -39.82 68.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 175.087 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.74 -40.18 78.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 114.71 -1.132 . . . . 25.0 108.038 -177.249 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -58.95 -46.24 88.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.969 -1.014 . . . . 25.0 109.41 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.81 85.98 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 124.345 1.028 . . . . 25.0 110.404 -176.443 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -38.1 87.68 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.962 0.905 . . . . 25.0 109.465 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -66.28 -43.93 84.99 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.615 0.572 . . . . 25.0 111.213 173.176 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.67 -41.19 98.21 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 120.346 -0.542 . . . . 25.0 112.454 -179.452 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.6 -31.19 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -178.236 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -18.08 58.16 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 175.171 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.78 174.78 36.7 Favored Glycine 0 C--O 1.194 -2.398 0 CA-C-N 114.786 -1.097 . . . . 25.0 113.16 177.479 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.88 -13.4 59.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 118.946 1.373 . . . . 25.0 110.722 174.61 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -68.6 -28.34 66.84 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.491 178.15 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.26 178.53 50.75 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-O 122.492 1.051 . . . . 25.0 115.088 172.41 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -130.08 0.08 Allowed 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 105.99 -1.856 . . . . 25.0 105.99 -179.82 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -76.13 111.45 11.55 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 119.844 -1.785 . . . . 25.0 111.208 178.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -113.42 14.39 19.12 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 166.86 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -83.39 88.72 6.97 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 114.432 -1.258 . . . . 25.0 111.131 -178.396 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -76.29 141.75 70.67 Favored Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 118.956 -1.098 . . . . 25.0 108.61 178.643 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.24 92.56 0.91 Allowed 'Trans proline' 0 CA--C 1.555 1.556 0 CA-C-O 123.774 1.489 . . . . 25.0 113.722 177.271 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.31 -1.11 0 CA-C-O 124.988 2.328 . . . . 25.0 113.215 -178.583 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.525 0 N-CA-C 117.59 1.796 . . . . 25.0 117.59 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp -59.67 -43.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 113.696 -1.252 . . . . 25.0 109.832 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.3 t -59.62 -48.61 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.773 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.11 -43.69 94.53 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 123.116 0.567 . . . . 25.0 111.575 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -67.44 -41.12 85.25 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 119.454 -0.899 . . . . 25.0 110.131 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -81.0 -8.98 59.89 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.663 -1.273 . . . . 25.0 112.134 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.05 -36.99 69.75 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -102.76 -0.14 31.98 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -146.71 157.76 43.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.885 -0.598 . . . . 25.0 110.103 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.89 137.92 22.66 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.0 m -133.87 89.67 2.61 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 122.037 0.922 . . . . 25.0 111.097 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.0 p -69.35 163.0 26.13 Favored 'General case' 0 CA--C 1.493 -1.247 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.54 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.56 -28.46 20.97 Favored 'General case' 1 C--O 1.312 4.358 0 O-C-N 119.068 -2.27 . . . . 25.0 113.384 170.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -64.34 -42.69 96.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.692 -1.88 . . . . 25.0 111.663 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -72.41 -41.49 66.18 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 113.865 -1.516 . . . . 25.0 112.731 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.76 -27.84 66.87 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.909 1.078 . . . . 25.0 113.909 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.45 -29.49 64.25 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 113.917 1.081 . . . . 25.0 113.917 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.02 -20.71 65.03 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.974 -1.079 . . . . 25.0 111.295 -175.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -90.04 -7.38 54.03 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 122.267 -0.27 . . . . 25.0 111.249 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.29 11.06 33.9 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 115.455 -0.793 . . . . 25.0 111.427 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t30 . . . . . 0 CA--C 1.564 1.488 0 CA-C-O 124.347 2.022 . . . . 25.0 109.616 -179.07 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.24 139.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 121.351 -0.843 . . . . 25.0 109.832 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -100.98 75.71 1.7 Allowed 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 105.778 -1.934 . . . . 25.0 105.778 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.19 -164.33 1.36 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.746 -1.205 . . . . 25.0 107.746 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -75.69 146.69 39.98 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -127.53 95.01 4.12 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.584 2.261 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 173.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 122.757 1.265 . . . . 25.0 111.714 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -54.71 -32.07 59.04 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 115.072 -0.967 . . . . 25.0 113.058 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.66 -44.18 87.12 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 119.413 -0.327 . . . . 25.0 110.737 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.2 t -68.92 -40.27 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 122.395 1.093 . . . . 25.0 109.722 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.97 -46.83 89.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.98 -1.075 . . . . 25.0 111.763 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.91 91.83 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.272 1.034 . . . . 25.0 113.356 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.62 -42.32 95.58 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.923 -1.111 . . . . 25.0 109.476 175.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.5 -35.62 79.94 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.835 -1.079 . . . . 25.0 111.054 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.42 -39.92 81.41 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 119.325 -0.95 . . . . 25.0 112.865 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.34 -31.97 16.43 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 C-N-CA 119.3 -0.96 . . . . 25.0 112.081 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -29.39 41.62 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.49 -55.24 4.08 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 118.216 -1.324 . . . . 25.0 113.661 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -123.14 42.75 3.12 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.73 1.752 . . . . 25.0 115.73 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 54.06 40.29 31.47 Favored 'General case' 0 C--O 1.189 -2.08 0 N-CA-C 116.031 1.863 . . . . 25.0 116.031 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.26 44.16 3.0 Favored Glycine 0 C--O 1.212 -1.221 0 O-C-N 120.921 -1.112 . . . . 25.0 113.753 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.6 p90 . . . . . 0 C--N 1.306 -1.319 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 179.757 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 118.135 2.014 . . . . 25.0 118.135 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.8 mt -53.77 -57.46 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.832 1.653 . . . . 25.0 112.042 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.38 -47.46 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 119.069 -2.269 . . . . 25.0 110.594 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.18 -40.38 89.77 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 118.891 -0.576 . . . . 25.0 112.487 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -71.56 -39.3 70.71 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.674 0.75 . . . . 25.0 112.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -80.75 -52.68 7.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.553 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.2 t -72.42 -18.83 61.68 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.523 0.935 . . . . 25.0 113.523 -172.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -74.48 -10.26 59.39 Favored 'General case' 0 C--O 1.246 0.882 0 O-C-N 120.449 -1.407 . . . . 25.0 113.271 -174.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.53 -168.98 3.26 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -70.24 129.58 34.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 166.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.17 137.33 40.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.009 0.923 . . . . 25.0 109.147 -174.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -113.76 155.81 24.96 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 119.576 1.08 . . . . 25.0 113.591 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.06 -29.95 71.06 Favored 'General case' 1 C--O 1.318 4.709 0 CA-C-O 122.561 1.172 . . . . 25.0 112.46 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 119.5 -2.0 . . . . 25.0 110.389 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.35 -41.73 72.77 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 119.71 -1.868 . . . . 25.0 112.54 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.259 -1.525 . . . . 25.0 113.511 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -61.54 -22.2 64.94 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 118.502 -0.761 . . . . 25.0 110.463 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.55 -21.58 65.67 Favored 'General case' 0 C--O 1.205 -1.248 0 CA-C-N 120.052 1.296 . . . . 25.0 110.165 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.86 14.23 24.36 Favored 'General case' 0 C--O 1.26 1.643 0 O-C-N 123.761 0.663 . . . . 25.0 111.597 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 150.52 42.3 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.026 -0.988 . . . . 25.0 110.555 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.1 p30 . . . . . 0 C--O 1.204 -1.337 0 O-C-N 125.402 1.689 . . . . 25.0 112.793 177.678 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 C--O 1.207 -1.14 0 CA-C-O 120.958 0.409 . . . . 25.0 111.651 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.1 133.75 30.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -76.84 129.25 35.97 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 122.808 1.29 . . . . 25.0 112.145 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.39 173.63 13.8 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -76.77 -16.92 59.33 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.012 -0.995 . . . . 25.0 110.871 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 mt 48.48 59.13 4.54 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.018 0.927 . . . . 25.0 112.589 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 m . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -178.798 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.932 0.872 . . . . 25.0 112.738 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -74.49 -29.04 61.27 Favored 'General case' 0 C--O 1.179 -2.607 0 O-C-N 121.395 -0.816 . . . . 25.0 109.612 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.56 -37.18 79.69 Favored 'General case' 0 C--O 1.194 -1.839 0 O-C-N 121.115 -0.991 . . . . 25.0 108.596 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.69 -43.62 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.341 -1.474 . . . . 25.0 107.29 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.61 -42.14 91.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.094 -1.004 . . . . 25.0 111.797 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.14 90.85 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.303 0.641 . . . . 25.0 110.025 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.59 -42.34 96.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.028 0.442 . . . . 25.0 110.855 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -62.43 -42.3 99.34 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.399 -0.813 . . . . 25.0 111.078 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.32 -42.83 83.0 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.587 -0.845 . . . . 25.0 110.141 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -76.03 -29.62 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 118.042 -0.98 . . . . 25.0 112.198 -174.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -28.2 36.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 122.651 1.215 . . . . 25.0 109.002 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.66 -169.14 48.56 Favored Glycine 0 N--CA 1.439 -1.126 0 N-CA-C 108.881 -1.688 . . . . 25.0 108.881 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.29 -8.13 16.53 Favored 'General case' 0 C--O 1.259 1.583 0 O-C-N 121.626 -0.926 . . . . 25.0 113.219 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -56.56 -36.34 69.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.654 1.221 . . . . 25.0 108.132 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.82 168.16 33.97 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-O 123.443 1.579 . . . . 25.0 113.275 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -178.207 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.313 0 CA-C-O 124.153 1.974 . . . . 25.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.0 mt -52.54 -62.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.576 0 CA-C-N 111.864 -2.168 . . . . 25.0 112.511 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.25 -43.0 97.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 107.767 -1.197 . . . . 25.0 107.767 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.68 -49.15 77.66 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.199 -173.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.13 -42.88 65.52 Favored 'General case' 0 C--O 1.241 0.653 0 O-C-N 119.907 -1.746 . . . . 25.0 107.644 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.29 -20.93 65.91 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.841 0.746 . . . . 25.0 111.893 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -96.16 -43.8 7.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.885 -0.509 . . . . 25.0 110.946 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -69.46 -21.78 63.69 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 122.991 1.377 . . . . 25.0 113.168 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.5 m -128.88 170.96 12.77 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.247 -1.533 . . . . 25.0 107.831 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.4 mm -63.42 134.86 28.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 105.583 -2.006 . . . . 25.0 105.583 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -120.25 81.32 1.73 Allowed 'General case' 0 C--O 1.244 0.773 0 CA-C-O 122.693 1.235 . . . . 25.0 111.919 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -64.86 167.73 7.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.565 1.174 . . . . 25.0 113.83 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 mt -58.34 -38.69 77.69 Favored 'General case' 1 C--O 1.335 5.566 0 O-C-N 120.145 -1.597 . . . . 25.0 112.809 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.84 -36.52 72.42 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 118.304 -2.748 . . . . 25.0 113.221 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -76.15 -45.15 34.96 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 119.362 -0.935 . . . . 25.0 108.523 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.45 -36.74 34.76 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.105 1.15 . . . . 25.0 114.105 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -60.34 -30.96 69.87 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.75 -16.15 63.26 Favored 'General case' 0 C--O 1.2 -1.518 0 C-N-CA 119.434 -0.906 . . . . 25.0 113.232 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -96.47 3.93 52.44 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 121.168 0.508 . . . . 25.0 111.104 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -94.41 -153.15 0.37 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.228 1.013 . . . . 25.0 108.659 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 N--CA 1.502 2.127 0 O-C-N 117.758 -3.089 . . . . 25.0 113.583 -179.387 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 115.027 1.492 . . . . 25.0 115.027 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.29 139.98 37.4 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -78.01 85.99 4.21 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 124.432 1.082 . . . . 25.0 109.524 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -154.57 -175.34 5.36 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -71.35 146.49 48.77 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 120.91 -1.119 . . . . 25.0 108.607 175.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.66 111.03 15.72 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 124.557 1.161 . . . . 25.0 109.159 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.551 0.992 0 CA-C-O 121.018 0.437 . . . . 25.0 110.246 -173.696 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t . . . . . 0 N--CA 1.445 -0.679 0 CA-C-O 121.098 0.475 . . . . 25.0 111.658 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -63.72 -33.1 74.9 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 119.89 -0.724 . . . . 25.0 112.603 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.77 -46.03 66.7 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 106.83 -1.545 . . . . 25.0 106.83 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.25 -50.63 77.77 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 O-C-N 121.27 -0.894 . . . . 25.0 110.142 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.626 -0.715 . . . . 25.0 110.565 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.84 82.93 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.409 1.1 . . . . 25.0 109.908 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.56 -41.28 98.41 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.824 -1.08 . . . . 25.0 113.102 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.71 -35.2 80.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.489 0.661 . . . . 25.0 111.941 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.7 mt -68.75 -47.76 65.45 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-O 121.453 0.644 . . . . 25.0 112.571 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -74.56 -34.86 36.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 118.277 -1.369 . . . . 25.0 110.807 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -82.57 -21.09 35.38 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 121.635 -0.666 . . . . 25.0 109.598 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 179.58 46.31 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 123.207 1.448 . . . . 25.0 113.06 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -72.26 -0.83 13.19 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 121.479 -1.012 . . . . 25.0 112.766 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -27.32 64.36 Favored 'General case' 0 C--O 1.204 -1.299 0 O-C-N 125.871 1.982 . . . . 25.0 108.437 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 164.43 38.01 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 114.117 -1.401 . . . . 25.0 115.97 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 21.7 p90 . . . . . 0 C--N 1.318 -0.767 0 N-CA-C 106.48 -1.674 . . . . 25.0 106.48 179.401 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 114.347 0.499 . . . . 25.0 114.347 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.4 mt -61.35 -43.7 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -172.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.21 -43.51 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-O 121.772 0.796 . . . . 25.0 109.983 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -72.06 -39.25 69.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.471 -1.393 . . . . 25.0 112.367 -175.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.05 -41.73 94.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 125.414 1.697 . . . . 25.0 113.232 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -85.67 -51.25 6.58 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.63 -16.53 61.18 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -72.06 -5.21 33.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.932 -1.105 . . . . 25.0 113.715 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.7 p -139.96 -175.59 4.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 105.73 -1.952 . . . . 25.0 105.73 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.62 124.61 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 104.629 -2.36 . . . . 25.0 104.629 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.43 150.13 36.78 Favored 'General case' 0 CA--C 1.484 -1.56 0 CA-C-N 114.335 -1.302 . . . . 25.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -135.1 148.99 49.97 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 113.351 -1.75 . . . . 25.0 110.65 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.0 mm? -61.58 -33.43 73.87 Favored 'General case' 1 C--O 1.313 4.435 0 CA-C-O 124.726 2.203 . . . . 25.0 113.487 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.71 -40.04 95.93 Favored 'General case' 0 C--N 1.324 -0.517 1 O-C-N 115.625 -4.422 . . . . 25.0 112.452 171.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -72.23 -41.76 66.48 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 119.229 -2.17 . . . . 25.0 109.167 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.72 -29.11 64.46 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 114.322 1.23 . . . . 25.0 114.322 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.36 -25.84 67.43 Favored 'General case' 0 N--CA 1.439 -1.01 0 O-C-N 123.331 0.395 . . . . 25.0 111.821 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.72 -19.21 63.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.677 -0.639 . . . . 25.0 112.153 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.48 -2.39 36.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.67 164.85 18.36 Favored 'General case' 0 C--O 1.197 -1.679 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 CA--C 1.572 1.818 0 CA-C-O 124.258 1.98 . . . . 25.0 114.358 -172.517 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 122.095 0.95 . . . . 25.0 113.292 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t 62.83 102.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 126.098 1.759 . . . . 25.0 112.491 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -87.94 59.18 5.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.152 -1.386 . . . . 25.0 111.588 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.39 -165.13 1.96 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.617 -0.677 . . . . 25.0 109.977 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -77.83 93.82 4.41 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.48 122.19 26.13 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.699 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--O 1.197 -1.69 0 CA-C-O 122.401 1.096 . . . . 25.0 111.479 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -68.69 -33.14 73.45 Favored 'General case' 0 C--O 1.187 -2.218 0 C-N-CA 119.582 -0.847 . . . . 25.0 111.176 -174.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.48 -38.4 74.39 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 122.434 1.111 . . . . 25.0 109.734 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.53 -44.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 120.964 -1.085 . . . . 25.0 108.648 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.25 -42.43 99.19 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 118.966 -0.54 . . . . 25.0 109.81 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.42 95.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.69 97.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -65.4 -35.34 80.65 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 123.409 1.576 . . . . 25.0 113.877 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -72.39 -38.69 68.41 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 113.906 -1.497 . . . . 25.0 110.567 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -82.42 -34.62 12.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 119.31 -0.956 . . . . 25.0 112.56 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.72 -35.51 38.81 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 119.34 0.973 . . . . 25.0 110.038 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.76 173.63 14.52 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 120.457 -0.877 . . . . 25.0 112.892 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.79 -16.76 63.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.799 1.037 . . . . 25.0 113.799 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -76.64 -0.01 21.87 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 122.213 -0.304 . . . . 25.0 110.455 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -176.77 54.58 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 110.082 -1.207 . . . . 25.0 110.082 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.194 -1.833 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 -177.423 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.14 0 CA-C-O 121.564 0.536 . . . . 25.0 111.925 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.17 -51.36 63.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.517 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.01 -31.8 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 CA-C-N 115.263 -0.881 . . . . 25.0 112.494 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.9 -36.79 72.87 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 108.031 -1.099 . . . . 25.0 108.031 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -70.56 -41.84 71.92 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -100.08 -22.15 15.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 120.533 3.531 . . . . 25.0 120.533 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.33 -11.97 59.97 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.538 -1.351 . . . . 25.0 109.012 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -121.32 151.54 39.97 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.842 -1.161 . . . . 25.0 108.067 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t 48.33 -148.14 0.22 Allowed 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.716 -171.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.5 112.8 21.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 105.692 -1.966 . . . . 25.0 105.692 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.1 p -83.7 159.43 21.51 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.271 0.357 . . . . 25.0 110.621 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -102.2 153.73 19.69 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 121.293 0.568 . . . . 25.0 112.144 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 mt -67.81 -19.77 65.11 Favored 'General case' 1 C--O 1.325 5.043 0 N-CA-C 106.67 -1.604 . . . . 25.0 106.67 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -63.3 -43.81 96.79 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.367 -3.333 . . . . 25.0 110.584 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -68.05 -40.94 82.7 Favored 'General case' 0 C--O 1.172 -3.0 0 CA-C-N 114.254 -1.339 . . . . 25.0 110.824 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.17 -39.39 82.37 Favored 'General case' 0 C--O 1.182 -2.495 0 O-C-N 120.759 -1.213 . . . . 25.0 109.827 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.64 -20.95 66.59 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.326 -0.858 . . . . 25.0 112.806 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -71.84 -16.64 62.16 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.547 -0.739 . . . . 25.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -85.98 -6.62 59.02 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 118.702 0.683 . . . . 25.0 110.093 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.3 m -76.06 167.26 22.19 Favored 'General case' 0 C--O 1.197 -1.697 0 CA-C-O 123.99 1.852 . . . . 25.0 106.635 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.506 2.371 0 CA-C-O 125.248 2.451 . . . . 25.0 115.688 174.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.0 t -91.35 118.48 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -108.93 128.56 55.04 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 114.732 -1.122 . . . . 25.0 112.145 -170.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -133.9 -155.35 0.66 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.296 -1.32 . . . . 25.0 108.46 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -85.69 75.95 10.02 Favored 'General case' 0 CA--C 1.466 -2.257 0 C-N-CA 123.029 0.531 . . . . 25.0 109.907 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.13 125.52 25.24 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 107.694 -1.225 . . . . 25.0 107.694 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -173.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 115.369 1.618 . . . . 25.0 115.369 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -63.62 -27.67 69.39 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 120.372 -1.455 . . . . 25.0 112.073 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.75 -42.13 91.29 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 108.215 -1.032 . . . . 25.0 108.215 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.8 t -66.85 -43.76 89.42 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.421 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -62.68 -39.74 94.92 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.402 -0.811 . . . . 25.0 110.453 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.97 84.46 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 118.432 0.56 . . . . 25.0 109.966 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -41.65 77.64 Favored 'General case' 0 C--O 1.206 -1.189 0 CA-C-O 121.169 0.509 . . . . 25.0 110.615 176.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -63.93 -43.16 96.73 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 119.578 -0.849 . . . . 25.0 112.092 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 mt -59.6 -47.05 87.09 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.454 0.645 . . . . 25.0 110.779 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.74 -28.27 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 O-C-N 120.507 -1.371 . . . . 25.0 112.053 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -85.75 -22.37 27.77 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 -173.15 50.27 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-O 124.816 2.342 . . . . 25.0 109.737 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -68.49 -11.0 59.2 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 112.823 -1.689 . . . . 25.0 109.371 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.8 mmm-85 -60.46 -31.61 70.61 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 122.439 1.114 . . . . 25.0 111.897 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.01 156.27 31.37 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 117.562 -1.688 . . . . 25.0 112.933 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.2 p90 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 124.067 1.889 . . . . 25.0 110.836 -175.615 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.006 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.444 ' H ' HG13 ' A' ' 2' ' ' ILE . 6.5 mt -57.6 -46.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 CA-C-O 121.004 0.43 . . . . 25.0 111.291 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -71.54 -31.51 42.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 CA-C-O 121.746 0.784 . . . . 25.0 112.66 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -64.63 -50.87 65.42 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -65.36 -40.31 93.43 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -79.85 -16.38 55.54 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.15 -38.07 10.31 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 120.69 -1.256 . . . . 25.0 113.102 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -75.14 -22.53 58.09 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 122.137 -0.352 . . . . 25.0 111.074 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.7 p -153.05 162.92 40.75 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 123.505 0.722 . . . . 25.0 110.334 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.72 95.11 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -68.37 150.82 47.72 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.655 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -92.95 147.56 22.74 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 121.603 0.716 . . . . 25.0 111.355 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.6 mt -55.83 -39.55 71.57 Favored 'General case' 1 C--O 1.34 5.829 0 CA-C-N 115.696 -0.684 . . . . 25.0 112.225 174.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -58.27 -35.16 71.34 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 118.562 -2.586 . . . . 25.0 114.168 171.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.03 -37.76 78.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.275 -1.515 . . . . 25.0 111.641 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -34.94 78.86 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.275 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -60.88 -19.28 59.98 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 114.836 1.421 . . . . 25.0 114.836 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -70.87 -16.39 62.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.016 0.913 . . . . 25.0 111.925 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -106.96 14.81 26.06 Favored 'General case' 0 CA--C 1.492 -1.252 0 C-N-CA 124.663 1.185 . . . . 25.0 108.258 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.64 -177.24 4.39 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 102.817 -3.031 . . . . 25.0 102.817 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--O 1.189 -2.081 0 CA-C-O 124.727 2.203 . . . . 25.0 111.735 179.66 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.5 t80 . . . . . 0 CA--C 1.483 -1.616 0 N-CA-C 115.676 1.732 . . . . 25.0 115.676 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.0 t -79.55 133.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 114.771 -1.104 . . . . 25.0 111.71 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -113.42 125.63 54.45 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 123.247 1.499 . . . . 25.0 109.745 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.77 -156.19 0.68 Allowed 'General case' 0 C--O 1.197 -1.69 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.67 93.38 2.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 106.397 -1.705 . . . . 25.0 106.397 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.81 78.41 7.59 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 121.469 -0.769 . . . . 25.0 112.081 -171.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 83.9 m . . . . . 0 CA--C 1.563 1.45 0 CA-C-O 122.771 1.272 . . . . 25.0 107.953 -178.503 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -67.58 -36.0 80.06 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 124.6 1.187 . . . . 25.0 111.486 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.04 -47.01 81.86 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 106.948 -1.501 . . . . 25.0 106.948 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.43 -46.71 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 CA-C-N 115.202 -0.908 . . . . 25.0 110.642 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -57.5 -44.85 85.31 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.204 0.94 . . . . 25.0 110.463 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.27 91.44 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 120.684 0.278 . . . . 25.0 111.322 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -56.7 -46.56 81.16 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.059 0.457 . . . . 25.0 110.066 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -61.81 -41.55 97.9 Favored 'General case' 0 C--O 1.191 -1.979 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.51 -33.15 68.96 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 119.408 -0.917 . . . . 25.0 112.875 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.28 -32.62 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 119.973 -1.704 . . . . 25.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.88 -39.97 29.36 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 119.126 -1.03 . . . . 25.0 110.322 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.87 178.55 17.33 Favored Glycine 0 C--O 1.248 0.969 0 CA-C-O 122.445 1.025 . . . . 25.0 111.947 -175.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.63 -13.22 62.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.95 -0.625 . . . . 25.0 109.744 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -12.85 61.28 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 124.197 0.936 . . . . 25.0 109.991 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 173.92 46.73 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-O 123.832 1.796 . . . . 25.0 112.776 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--O 1.206 -1.233 0 C-N-CA 125.592 1.557 . . . . 25.0 111.965 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.556 0 CA-C-O 125.792 2.884 . . . . 25.0 110.339 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mp -66.18 -46.82 86.55 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.076 0 CA-C-N 110.603 -2.799 . . . . 25.0 111.424 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.504 HG12 HD12 ' B' ' 11' ' ' LEU . 32.7 m -71.07 -32.89 49.5 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 O-C-N 121.043 -1.036 . . . . 25.0 110.22 -176.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -64.55 -47.04 80.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.514 -0.312 . . . . 25.0 110.646 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -66.49 -45.08 80.81 Favored 'General case' 0 CA--C 1.559 1.32 0 O-C-N 123.358 0.411 . . . . 25.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -71.38 -23.69 61.94 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.243 1.572 . . . . 25.0 115.243 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.54 -37.79 59.78 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 120.539 1.518 . . . . 25.0 112.727 172.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -86.12 -26.66 25.1 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.579 1.081 . . . . 25.0 113.166 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t -126.46 179.66 5.2 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 -171.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mm -89.8 131.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.4 m -113.35 87.32 2.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.824 0.85 . . . . 25.0 112.664 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.7 m -68.01 153.29 44.04 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.98 0.895 . . . . 25.0 110.546 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -52.59 -45.0 66.32 Favored 'General case' 1 C--O 1.324 4.995 0 O-C-N 119.644 -1.91 . . . . 25.0 109.942 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -55.01 -42.47 72.6 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 116.172 -4.08 . . . . 25.0 113.891 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.14 -38.0 78.58 Favored 'General case' 0 CA--C 1.559 1.31 0 O-C-N 119.831 -1.793 . . . . 25.0 112.008 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -60.2 -30.17 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.427 -0.796 . . . . 25.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.23 -23.84 62.66 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-O 119.157 -0.449 . . . . 25.0 110.909 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.35 -19.76 65.48 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.122 1.328 . . . . 25.0 112.418 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.6 -3.7 35.65 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.553 0.692 . . . . 25.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -70.38 158.92 35.1 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 121.875 0.845 . . . . 25.0 109.942 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.508 2.46 0 CA-C-O 124.966 2.317 . . . . 25.0 113.532 174.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 N--CA 1.517 2.876 0 N-CA-C 117.786 2.513 . . . . 25.0 117.786 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.8 t -83.16 123.71 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.605 -1.309 . . . . 25.0 111.178 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -82.86 125.2 31.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.735 0.778 . . . . 25.0 112.491 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.62 -162.87 0.91 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 -175.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -61.61 150.31 36.63 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 172.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -141.05 128.85 21.67 Favored 'General case' 0 C--O 1.198 -1.627 0 C-N-CA 123.59 0.756 . . . . 25.0 109.372 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.209 -1.056 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 -179.608 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -54.98 -37.37 66.46 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 116.593 -1.67 . . . . 25.0 111.766 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.504 HD12 HG12 ' A' ' 3' ' ' VAL . 1.8 tm? -66.01 -44.89 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 120.195 1.361 . . . . 25.0 108.456 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.26 -49.07 85.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.117 0.484 . . . . 25.0 109.741 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -43.04 98.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.404 -0.362 . . . . 25.0 110.712 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.65 92.48 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 121.59 -0.693 . . . . 25.0 109.324 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.44 -42.1 98.23 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.86 -42.56 97.51 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.235 -0.915 . . . . 25.0 110.711 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.36 -42.39 79.26 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -72.88 -33.15 42.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.407 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -77.02 -36.29 56.33 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 114.028 1.122 . . . . 25.0 114.028 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.17 -177.61 20.32 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 125.01 2.45 . . . . 25.0 114.622 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.52 -14.16 60.44 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 112.349 -1.926 . . . . 25.0 111.709 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -17.81 61.77 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 116.007 -0.542 . . . . 25.0 112.226 174.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.0 -163.57 24.83 Favored Glycine 0 C--O 1.202 -1.882 0 C-N-CA 117.66 -2.209 . . . . 25.0 114.841 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 . . . . . 0 C--O 1.186 -2.263 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 179.811 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.449 0 CA-C-O 124.473 2.152 . . . . 25.0 112.707 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.408 HG12 ' H ' ' A' ' 2' ' ' ILE . 0.8 OUTLIER -56.41 -46.97 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 113.841 -1.18 . . . . 25.0 113.299 -173.578 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -78.34 -28.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 118.543 -1.263 . . . . 25.0 110.852 -174.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.88 -39.34 83.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.961 -1.126 . . . . 25.0 107.961 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -72.61 -35.33 67.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.738 -0.602 . . . . 25.0 111.852 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.15 -45.79 31.82 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 114.299 1.222 . . . . 25.0 114.299 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.94 -17.67 62.06 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 115.766 1.765 . . . . 25.0 115.766 -169.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -79.57 -4.53 51.92 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 119.979 -0.688 . . . . 25.0 109.806 -174.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 t -150.78 -158.95 0.97 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 100.846 -3.761 . . . . 25.0 100.846 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -120.88 99.38 7.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 101.265 -3.606 . . . . 25.0 101.265 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.22 156.36 38.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.35 -0.841 . . . . 25.0 111.354 -174.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 p -103.67 157.91 16.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 122.648 1.213 . . . . 25.0 111.524 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.04 -35.22 79.53 Favored 'General case' 1 C--O 1.35 6.356 0 O-C-N 120.287 -1.508 . . . . 25.0 107.643 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -54.95 -43.76 73.7 Favored 'General case' 0 C--O 1.196 -1.755 0 C-N-CA 128.4 2.68 . . . . 25.0 111.331 171.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.46 -38.26 71.29 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 119.652 -1.905 . . . . 25.0 110.071 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.18 -26.09 68.14 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.52 -27.48 66.22 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 25.0 111.361 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.14 -16.75 63.72 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -93.3 -7.43 44.96 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.58 0.705 . . . . 25.0 110.014 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -87.53 -30.71 20.37 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.068 -2.197 . . . . 25.0 105.068 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.363 1.159 0 O-C-N 118.965 -2.335 . . . . 25.0 112.626 -169.126 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 . . . . . 0 C--O 1.209 -1.056 0 CA-C-O 126.634 3.111 . . . . 25.0 114.171 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.36 137.79 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 110.788 -2.914 . . . . 25.0 107.835 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -76.55 21.13 0.2 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -77.71 -176.89 4.57 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.137 -0.938 . . . . 25.0 109.406 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -70.31 -9.15 55.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.608 0.966 . . . . 25.0 113.608 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt 51.44 63.3 2.3 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.536 0.939 . . . . 25.0 113.536 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m . . . . . 0 C--O 1.274 2.352 0 N-CA-C 113.661 0.985 . . . . 25.0 113.661 179.414 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.206 0.817 . . . . 25.0 113.206 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -69.93 -31.08 68.65 Favored 'General case' 0 C--O 1.207 -1.164 0 O-C-N 121.59 -0.694 . . . . 25.0 109.72 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.09 -49.14 68.62 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.928 -1.878 . . . . 25.0 105.928 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 t -66.02 -37.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.027 -0.269 . . . . 25.0 110.768 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.95 -47.29 81.05 Favored 'General case' 0 CA--C 1.561 1.37 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.56 99.56 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 122.086 -0.384 . . . . 25.0 110.931 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -43.5 96.87 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 118.439 -0.791 . . . . 25.0 110.528 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -63.76 -42.14 97.86 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.44 -37.48 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.4 -28.28 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 122.638 1.209 . . . . 25.0 112.866 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.35 -39.38 25.17 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.074 -0.966 . . . . 25.0 112.105 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.45 -147.96 17.34 Favored Glycine 0 C--O 1.19 -2.601 0 CA-C-O 124.382 2.101 . . . . 25.0 111.176 -172.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.12 79.64 1.75 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.845 -1.678 . . . . 25.0 110.974 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 43.11 58.34 3.35 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 125.684 1.865 . . . . 25.0 113.27 172.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.42 24.99 9.91 Favored Glycine 0 C--O 1.196 -2.265 0 N-CA-C 110.278 -1.129 . . . . 25.0 110.278 172.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 p90 . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 -174.344 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.537 5.42 0 CA-C-O 123.711 1.728 . . . . 25.0 112.761 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.62 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 CA-C-N 113.95 -1.125 . . . . 25.0 111.447 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.72 -33.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 122.311 1.053 . . . . 25.0 113.119 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -38.78 92.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.439 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -83.96 -35.41 23.99 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.687 0.995 . . . . 25.0 113.687 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.4 -16.17 18.49 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 116.637 2.088 . . . . 25.0 116.637 -175.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.65 -0.93 57.2 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.464 -1.398 . . . . 25.0 108.365 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -117.97 160.78 20.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 51.22 -153.66 0.17 Allowed 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 123.932 0.893 . . . . 25.0 112.036 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.7 mm -110.34 117.31 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.55 113.08 3.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.754 -1.202 . . . . 25.0 107.754 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -104.39 154.69 19.53 Favored 'General case' 0 C--O 1.199 -1.605 0 CA-C-O 121.875 0.845 . . . . 25.0 112.292 -173.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.3 mt -58.27 -38.23 76.54 Favored 'General case' 1 C--O 1.308 4.135 0 O-C-N 119.414 -2.054 . . . . 25.0 111.897 -175.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.99 -42.31 97.23 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 123.374 1.559 . . . . 25.0 109.1 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -65.1 -47.37 77.47 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.339 -1.755 . . . . 25.0 108.62 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt -55.43 -40.12 71.1 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.933 0.77 . . . . 25.0 112.943 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -63.61 -25.11 68.08 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 117.674 -1.155 . . . . 25.0 112.728 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -70.65 -31.76 68.81 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 119.913 1.233 . . . . 25.0 108.123 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -78.64 -7.55 57.75 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 113.499 0.926 . . . . 25.0 113.499 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t -77.94 -19.22 54.99 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--O 1.207 -1.136 0 CA-C-O 125.366 2.508 . . . . 25.0 111.328 -175.686 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 CA--C 1.557 1.248 0 CA-C-O 125.653 2.644 . . . . 25.0 114.8 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -114.77 126.08 72.24 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.542 0 C-N-CA 128.335 2.654 . . . . 25.0 108.31 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.89 131.14 55.56 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -165.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 105.171 -2.159 . . . . 25.0 105.171 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -64.77 137.29 57.7 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 104.916 -2.253 . . . . 25.0 104.916 165.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.26 128.45 43.26 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.979 0.8 . . . . 25.0 112.152 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.185 0 O-C-N 124.391 1.057 . . . . 25.0 109.408 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.47 -41.67 98.94 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 120.868 -1.145 . . . . 25.0 113.067 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.25 -38.76 78.62 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 115.266 -0.879 . . . . 25.0 109.027 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.82 -43.9 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 119.808 -0.757 . . . . 25.0 110.481 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -40.55 95.07 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.111 -0.636 . . . . 25.0 111.91 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.87 95.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -42.27 95.56 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-N 118.038 0.381 . . . . 25.0 110.153 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.47 -42.39 96.15 Favored 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.08 -40.81 98.76 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 121.03 -1.044 . . . . 25.0 112.419 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.2 t -64.09 -43.68 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.871 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 -9.41 57.16 Favored 'General case' 0 C--O 1.27 2.143 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.52 -158.15 53.59 Favored Glycine 0 N--CA 1.429 -1.794 0 N-CA-C 109.297 -1.521 . . . . 25.0 109.297 -174.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.26 6.59 9.51 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.219 -1.166 . . . . 25.0 112.665 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -78.95 -26.99 43.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.405 0.548 . . . . 25.0 110.902 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 -176.04 51.47 Favored Glycine 0 N--CA 1.485 1.906 0 C-N-CA 120.047 -1.073 . . . . 25.0 114.622 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.1 p90 . . . . . 0 C--O 1.247 0.958 0 C-N-CA 124.413 1.085 . . . . 25.0 113.64 -173.474 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.288 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.426 ' H ' HG13 ' A' ' 2' ' ' ILE . 9.9 mt -60.03 -41.53 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.207 -1.172 . . . . 25.0 110.843 -172.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.5 t -61.43 -54.26 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-O 118.249 -0.881 . . . . 25.0 109.133 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.48 -44.12 95.32 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.944 0.777 . . . . 25.0 110.84 -173.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -67.9 -35.47 78.55 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 118.2 0.454 . . . . 25.0 112.159 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.5 m -81.72 -21.23 38.07 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.555 0.946 . . . . 25.0 113.555 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.7 m -82.61 -40.91 20.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 O-C-N 120.026 -1.671 . . . . 25.0 109.475 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -84.15 -16.06 44.87 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 120.689 -1.257 . . . . 25.0 112.219 -176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -147.9 162.68 38.8 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 119.307 0.958 . . . . 25.0 110.966 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.77 131.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.92 163.63 23.22 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 104.412 -2.44 . . . . 25.0 104.412 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.34 168.91 18.76 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.448 HD22 ' H ' ' A' ' 13' ' ' LEU . 3.0 mm? -59.93 -38.81 83.46 Favored 'General case' 1 C--O 1.323 4.934 0 CA-C-N 114.273 -1.331 . . . . 25.0 112.342 -169.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -52.13 -50.34 61.92 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 123.312 1.529 . . . . 25.0 111.329 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -68.72 -37.91 79.81 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 120.483 -1.385 . . . . 25.0 111.047 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.08 -35.71 69.71 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.51 -31.04 69.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.546 -0.752 . . . . 25.0 111.405 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -70.52 -9.06 55.74 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 120.448 -1.408 . . . . 25.0 114.439 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -100.09 8.06 44.2 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 123.45 0.7 . . . . 25.0 110.187 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -155.91 -139.51 0.08 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.15 -1.796 . . . . 25.0 106.15 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 123.25 1.5 . . . . 25.0 108.222 174.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.203 -1.389 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.79 143.87 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 121.869 0.842 . . . . 25.0 109.923 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -85.34 84.14 7.75 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.027 -1.046 . . . . 25.0 108.973 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -135.31 -179.96 5.95 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -70.04 154.01 42.48 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.73 112.97 18.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.241 0.646 0 CA-C-O 121.563 0.697 . . . . 25.0 111.501 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 107.009 -1.478 . . . . 25.0 107.009 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -34.04 77.0 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 124.315 1.009 . . . . 25.0 113.201 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -34.19 67.86 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.286 -1.746 . . . . 25.0 106.286 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.66 -43.77 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 121.808 0.814 . . . . 25.0 109.516 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -64.53 -37.27 86.98 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.558 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.34 92.83 Favored 'General case' 0 C--O 1.257 1.496 0 O-C-N 120.739 -1.226 . . . . 25.0 112.257 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.43 -45.0 92.79 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 124.805 1.316 . . . . 25.0 110.307 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -65.16 -35.91 82.59 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 121.551 -0.718 . . . . 25.0 112.846 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.79 -44.94 69.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -75.62 -30.51 21.86 Favored 'Isoleucine or valine' 0 C--O 1.258 1.55 0 CA-C-O 121.0 0.428 . . . . 25.0 111.807 -174.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.04 -36.12 28.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 118.749 -1.18 . . . . 25.0 112.327 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.04 -174.54 24.35 Favored Glycine 0 C--N 1.305 -1.141 0 CA-C-O 122.843 1.246 . . . . 25.0 112.308 -172.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.04 7.58 0.53 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 125.389 1.476 . . . . 25.0 114.06 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -75.3 -29.78 60.17 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 124.541 1.151 . . . . 25.0 109.789 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.35 170.79 47.54 Favored Glycine 0 C--O 1.205 -1.709 0 CA-C-O 117.708 -1.607 . . . . 25.0 114.446 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.201 -1.466 0 CA-C-N 118.487 1.144 . . . . 25.0 113.675 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.681 0 CA-C-O 126.513 3.285 . . . . 25.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.8 mt -51.24 -58.78 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.63 0 CA-C-N 112.355 -1.922 . . . . 25.0 113.482 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.57 -40.83 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 -172.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.92 -49.01 78.22 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 118.74 -0.648 . . . . 25.0 110.685 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.29 -34.4 77.31 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -76.5 -40.09 51.21 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 114.557 1.317 . . . . 25.0 114.557 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.34 -32.79 73.61 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.578 1.695 . . . . 25.0 115.578 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 t -82.45 142.61 31.77 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t 53.69 -175.84 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 124.598 2.142 . . . . 25.0 113.905 -167.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -78.22 123.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 114.365 -1.289 . . . . 25.0 107.818 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.57 160.95 14.11 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.578 0.751 . . . . 25.0 112.197 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.9 p -148.46 157.83 43.72 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.229 0.538 . . . . 25.0 110.75 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.02 -33.14 70.4 Favored 'General case' 1 C--O 1.312 4.372 0 CA-C-O 124.496 2.093 . . . . 25.0 109.364 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -60.7 -36.6 79.19 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 117.046 -3.534 . . . . 25.0 113.826 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -76.54 -37.28 56.88 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 119.448 -2.032 . . . . 25.0 111.418 174.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.78 -35.85 77.49 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.049 0.389 . . . . 25.0 112.049 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.02 -22.15 62.25 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 116.629 2.085 . . . . 25.0 116.629 171.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.85 -11.97 60.8 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.533 -0.867 . . . . 25.0 112.309 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -98.18 3.48 49.02 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 121.438 -0.789 . . . . 25.0 111.114 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.7 m -104.65 177.28 4.89 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.0 t30 . . . . . 0 C--O 1.204 -1.322 0 O-C-N 119.5 -2.0 . . . . 25.0 115.811 173.463 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 116.158 1.911 . . . . 25.0 116.158 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 p -132.07 146.77 32.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 N-CA-C 105.271 -2.122 . . . . 25.0 105.271 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -91.34 74.97 6.09 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 107.602 -1.258 . . . . 25.0 107.602 -176.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.08 -163.34 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 25.0 111.204 -170.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.56 82.62 1.11 Allowed 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.65 122.94 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 106.044 -1.835 . . . . 25.0 106.044 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.255 1.365 0 N-CA-C 114.371 1.249 . . . . 25.0 114.371 -177.365 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 122.294 1.045 . . . . 25.0 110.077 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -63.52 -31.81 73.08 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 120.343 -1.473 . . . . 25.0 113.758 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.25 -44.12 84.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.694 -0.802 . . . . 25.0 110.406 171.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.0 -46.41 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.76 -44.69 90.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.633 -1.167 . . . . 25.0 112.061 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -34.56 62.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.564 -0.71 . . . . 25.0 110.947 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.04 -44.99 87.27 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 118.22 -1.392 . . . . 25.0 112.039 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -58.8 -41.62 87.16 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 121.385 0.612 . . . . 25.0 110.63 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.43 -50.65 71.97 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.094 -0.957 . . . . 25.0 113.182 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.49 -29.77 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 119.424 1.011 . . . . 25.0 112.327 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -40.72 47.27 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.306 -0.871 . . . . 25.0 109.789 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.85 -171.83 21.21 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 114.884 -1.053 . . . . 25.0 114.899 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -16.88 63.94 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.157 -1.79 . . . . 25.0 113.061 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -13.41 40.99 Favored 'General case' 0 C--O 1.2 -1.54 0 N-CA-C 114.698 1.37 . . . . 25.0 114.698 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.21 -172.13 50.34 Favored Glycine 0 CA--C 1.499 -0.965 0 C-N-CA 120.334 -0.936 . . . . 25.0 115.347 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.2 p90 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 -176.502 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 CA-C-O 125.672 2.818 . . . . 25.0 112.575 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.89 -35.92 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 CA-C-N 110.835 -2.682 . . . . 25.0 110.32 -175.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.18 -45.36 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 O-C-N 120.309 -1.495 . . . . 25.0 109.68 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -71.7 -41.67 68.32 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.59 -0.694 . . . . 25.0 111.287 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -62.1 -41.94 98.72 Favored 'General case' 0 CA--C 1.578 2.049 0 N-CA-C 114.899 1.444 . . . . 25.0 114.899 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.02 -7.09 10.9 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.459 2.022 . . . . 25.0 116.459 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.86 -29.53 50.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.222 -2.174 . . . . 25.0 109.069 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -104.28 -4.11 23.39 Favored 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -135.0 162.27 32.91 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.269 -0.895 . . . . 25.0 110.5 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mm -73.14 128.12 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 119.405 -0.331 . . . . 25.0 110.269 172.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m -127.55 151.98 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 m -115.6 170.97 8.03 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.54 -35.21 62.97 Favored 'General case' 1 C--O 1.312 4.387 0 C-N-CA 124.061 0.945 . . . . 25.0 111.306 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -61.12 -37.62 83.43 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 117.018 -3.551 . . . . 25.0 114.212 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -75.42 -37.65 60.31 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 114.981 -1.009 . . . . 25.0 110.128 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.76 -24.77 67.66 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 117.799 -1.56 . . . . 25.0 113.081 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.11 -28.64 62.86 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 121.728 -0.607 . . . . 25.0 111.339 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -66.13 -15.96 63.55 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.636 -0.665 . . . . 25.0 111.213 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -106.62 8.48 31.2 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.587 0.708 . . . . 25.0 109.507 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.9 m -107.54 -174.14 2.46 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 102.005 -3.331 . . . . 25.0 102.005 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 . . . . . 0 C--N 1.355 0.843 0 CA-C-O 127.871 3.7 . . . . 25.0 111.32 174.879 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 122.94 1.352 . . . . 25.0 112.598 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.94 126.06 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 113.926 -1.488 . . . . 25.0 108.858 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -73.97 128.77 36.39 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.301 -0.874 . . . . 25.0 112.139 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -156.31 -173.19 4.39 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.42 149.92 47.82 Favored 'General case' 0 C--O 1.194 -1.844 0 N-CA-C 106.887 -1.523 . . . . 25.0 106.887 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -129.26 105.88 8.44 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 122.807 0.443 . . . . 25.0 110.383 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 178.328 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 CA--C 1.553 1.075 0 N-CA-C 113.841 1.052 . . . . 25.0 113.841 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.53 -39.4 94.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.201 1.001 . . . . 25.0 109.141 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.2 -47.16 80.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.757 -1.111 . . . . 25.0 108.724 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.6 -47.63 92.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.19 -41.44 90.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.974 0.91 . . . . 25.0 112.678 -177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.05 90.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.437 1.017 . . . . 25.0 109.578 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.15 -43.68 86.29 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.44 -42.68 99.63 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.848 0.718 . . . . 25.0 110.11 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.39 -41.32 98.57 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.912 -0.492 . . . . 25.0 112.204 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.31 -29.04 15.01 Favored 'Isoleucine or valine' 0 C--O 1.251 1.134 0 O-C-N 121.337 -0.852 . . . . 25.0 111.147 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -20.01 56.42 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 176.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.81 -171.7 54.63 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 107.989 -2.044 . . . . 25.0 107.989 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.36 -6.13 22.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.61 -0.795 . . . . 25.0 110.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -21.06 64.32 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 123.259 0.35 . . . . 25.0 111.122 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.13 -179.97 53.33 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 111.334 -0.706 . . . . 25.0 111.334 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.0 p90 . . . . . 0 C--O 1.215 -0.748 0 CA-C-N 114.583 -0.808 . . . . 25.0 109.69 178.322 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.517 4.082 0 CA-C-O 125.113 2.507 . . . . 25.0 113.687 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.69 -50.37 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.99 0 O-C-N 120.816 -1.402 . . . . 25.0 110.678 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -72.03 -33.15 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.59 0 C-N-CA 118.382 -1.327 . . . . 25.0 110.512 -174.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.13 -35.99 81.96 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.221 1.01 . . . . 25.0 109.926 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -76.12 -47.63 23.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.574 -0.739 . . . . 25.0 111.315 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -109.64 -26.77 9.72 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 118.663 2.838 . . . . 25.0 118.663 -166.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.3 m -91.83 -18.58 23.61 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 119.957 -1.714 . . . . 25.0 112.918 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -116.77 -8.05 11.43 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.901 1.334 . . . . 25.0 110.221 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.9 m -136.12 -176.94 4.48 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -106.19 135.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 174.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.41 170.17 15.88 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m -129.65 168.79 15.93 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mp -58.83 -30.28 67.53 Favored 'General case' 1 C--O 1.359 6.852 0 C-N-CA 128.288 2.635 . . . . 25.0 110.706 -171.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -58.61 -51.37 70.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 118.643 -2.536 . . . . 25.0 110.96 174.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -66.78 -36.35 82.21 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.829 -0.623 . . . . 25.0 109.321 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.39 -28.81 70.04 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.51 0.93 . . . . 25.0 113.51 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.68 -24.41 63.91 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.11 -22.57 64.88 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.89 -0.724 . . . . 25.0 111.986 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -87.23 0.41 55.4 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 123.298 1.523 . . . . 25.0 109.466 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -96.21 -176.87 3.79 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 t30 . . . . . 0 C--O 1.183 -2.413 0 CA-C-O 126.828 3.204 . . . . 25.0 109.075 168.565 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 125.77 2.7 . . . . 25.0 114.785 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.59 161.83 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 105.252 -2.129 . . . . 25.0 105.252 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -75.88 10.45 1.84 Allowed 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.85 179.32 4.94 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -56.79 132.48 52.4 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.713 -1.242 . . . . 25.0 108.3 170.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.45 105.77 11.96 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.308 -1.207 0 N-CA-C 103.89 -2.633 . . . . 25.0 103.89 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 CA--C 1.565 1.529 0 CA-C-O 120.902 0.382 . . . . 25.0 111.64 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -60.05 -43.4 95.41 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.043 0.925 . . . . 25.0 111.642 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -48.26 74.13 Favored 'General case' 0 C--O 1.204 -1.298 0 O-C-N 120.977 -1.077 . . . . 25.0 109.193 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.18 -39.59 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 125.248 1.592 . . . . 25.0 110.052 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.62 -41.4 72.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 25.0 111.359 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.13 86.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.285 -0.87 . . . . 25.0 112.295 174.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.427 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 6.5 mt -66.91 -43.01 84.49 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.691 -1.14 . . . . 25.0 109.452 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -58.25 -38.93 77.88 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 119.421 -0.323 . . . . 25.0 110.588 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.95 -35.73 69.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.947 -1.095 . . . . 25.0 113.664 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 m -81.34 -21.62 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 124.198 0.937 . . . . 25.0 112.52 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.61 -41.32 8.97 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 118.711 -0.661 . . . . 25.0 112.158 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.65 -177.19 21.17 Favored Glycine 0 C--O 1.255 1.409 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -60.74 -26.71 67.39 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.099 -1.236 . . . . 25.0 112.534 -173.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -13.36 28.69 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.44 -164.47 49.31 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 119.686 -1.245 . . . . 25.0 111.894 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 49.5 p90 . . . . . 0 CA--C 1.563 1.463 0 C-N-CA 125.696 1.599 . . . . 25.0 107.729 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.183 -3.045 0 N-CA-C 116.796 1.479 . . . . 25.0 116.796 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.14 -63.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.87 -29.34 33.19 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.091 0 C-N-CA 119.615 -0.834 . . . . 25.0 113.07 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -60.42 -36.99 79.47 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.798 -1.556 . . . . 25.0 106.798 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -78.97 -57.33 3.8 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.41 -13.15 60.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.724 3.231 . . . . 25.0 119.724 -172.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.3 -24.75 46.55 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.376 -0.93 . . . . 25.0 109.627 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -107.93 -29.49 9.0 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.48 0.582 . . . . 25.0 110.388 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -110.72 -179.86 3.87 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.45 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.1 mm -101.17 127.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.263 1.782 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.98 132.45 56.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.838 -0.539 . . . . 25.0 111.409 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -92.94 159.91 15.13 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.66 -26.76 68.81 Favored 'General case' 1 C--O 1.346 6.177 0 O-C-N 120.554 -1.341 . . . . 25.0 110.136 174.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.42 -40.01 77.4 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 116.504 -3.873 . . . . 25.0 111.152 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.95 -38.87 52.46 Favored 'General case' 0 C--N 1.377 1.761 0 O-C-N 118.688 -2.508 . . . . 25.0 109.428 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.72 -29.82 68.39 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.11 0.782 . . . . 25.0 113.11 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.42 -31.5 67.78 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 124.933 1.396 . . . . 25.0 112.288 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -64.86 -26.95 68.55 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.782 -1.199 . . . . 25.0 112.611 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -76.21 -11.99 60.02 Favored 'General case' 0 C--O 1.204 -1.292 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.921 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -15.05 14.77 Favored 'General case' 0 C--O 1.199 -1.6 0 CA-C-O 121.59 0.71 . . . . 25.0 111.641 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 N--CA 1.507 2.409 0 CA-C-O 123.47 1.605 . . . . 25.0 114.781 -176.522 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.673 1.702 . . . . 25.0 115.298 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -83.12 129.03 38.15 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -123.21 -171.84 2.38 Favored 'General case' 0 CA--C 1.488 -1.423 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.0 -153.8 0.49 Allowed 'General case' 0 C--O 1.262 1.728 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 170.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -73.35 145.23 46.1 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.66 124.64 34.14 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 107.421 -1.325 . . . . 25.0 107.421 -173.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.49 -1.341 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -175.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 115.436 1.643 . . . . 25.0 115.436 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.0 -30.3 65.97 Favored 'General case' 0 C--O 1.194 -1.828 0 CA-C-N 114.44 -1.254 . . . . 25.0 110.54 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.5 -41.87 65.45 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.185 -1.413 . . . . 25.0 107.185 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.51 -43.25 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.272 0.558 . . . . 25.0 109.578 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.07 -38.74 92.39 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 121.68 0.752 . . . . 25.0 109.979 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.56 86.62 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 121.118 -0.989 . . . . 25.0 111.04 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.63 -40.64 80.21 Favored 'General case' 0 C--O 1.201 -1.454 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.95 -47.97 83.18 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 118.157 -0.925 . . . . 25.0 111.768 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.33 -38.78 90.79 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 114.503 1.297 . . . . 25.0 114.503 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -81.6 -26.86 9.97 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 O-C-N 121.37 -0.831 . . . . 25.0 112.071 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.49 -24.83 17.86 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 -161.66 36.4 Favored Glycine 0 C--N 1.363 2.057 0 N-CA-C 110.219 -1.152 . . . . 25.0 110.219 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -91.89 25.61 2.72 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.126 1.899 . . . . 25.0 116.126 -175.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.64 -8.7 58.78 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 113.488 0.921 . . . . 25.0 113.488 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 161.21 36.92 Favored Glycine 0 C--O 1.25 1.119 0 C-N-CA 119.782 -1.199 . . . . 25.0 115.1 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 CA--C 1.507 -0.702 0 C-N-CA 123.263 0.625 . . . . 25.0 109.621 175.519 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.188 -2.737 0 CA-C-O 125.3 2.611 . . . . 25.0 115.258 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -54.53 -47.91 70.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 O-C-N 119.583 -2.128 . . . . 25.0 112.815 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -83.05 -18.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 117.481 -1.247 . . . . 25.0 111.706 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.73 -31.2 70.1 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 124.907 1.38 . . . . 25.0 108.659 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.65 -27.93 14.57 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -115.59 -4.46 12.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 121.274 3.805 . . . . 25.0 121.274 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.54 -16.05 58.89 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 123.301 1.524 . . . . 25.0 107.458 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -120.4 161.86 20.48 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 102.233 -3.247 . . . . 25.0 102.233 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 m 61.73 -160.63 0.3 Allowed 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 123.803 0.841 . . . . 25.0 110.603 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mm -127.54 120.05 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.5 156.81 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.902 -0.59 . . . . 25.0 109.497 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.4 m -135.0 175.95 9.11 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 105.66 -1.978 . . . . 25.0 105.66 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.98 -26.75 38.88 Favored 'General case' 1 C--O 1.351 6.441 0 C-N-CA 127.378 2.271 . . . . 25.0 111.608 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -53.34 -51.49 62.24 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 117.478 -3.264 . . . . 25.0 111.811 169.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -77.29 -33.29 55.75 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.477 -1.389 . . . . 25.0 111.252 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.66 -31.65 70.87 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 123.204 0.315 . . . . 25.0 111.396 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.46 -28.65 60.19 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -68.63 -16.86 63.98 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 116.283 -0.417 . . . . 25.0 111.799 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -94.25 5.06 52.93 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.988 0.915 . . . . 25.0 111.151 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.0 m -80.08 4.13 18.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.478 1.132 . . . . 25.0 110.109 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 . . . . . 0 CA--C 1.563 1.446 0 CA-C-O 126.751 3.167 . . . . 25.0 109.508 174.862 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.206 -1.214 0 CA-C-O 124.91 2.29 . . . . 25.0 116.302 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 t -121.87 127.26 75.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 113.747 -1.569 . . . . 25.0 110.098 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -67.25 97.35 0.54 Allowed 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.04 -176.69 6.12 Favored 'General case' 0 CA--C 1.57 1.713 0 O-C-N 124.471 1.107 . . . . 25.0 110.324 -176.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.67 78.55 6.23 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.497 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.96 112.26 1.6 Allowed 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.278 0.631 . . . . 25.0 112.484 -174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-N 114.792 -1.094 . . . . 25.0 109.69 178.703 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.89 0.852 . . . . 25.0 113.266 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -67.03 -41.68 86.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.728 -0.789 . . . . 25.0 110.554 -174.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.61 -44.02 91.91 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 115.137 -0.938 . . . . 25.0 110.342 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.13 -46.54 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -64.57 -44.07 91.88 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.056 0.455 . . . . 25.0 111.421 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.97 83.18 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-O 121.582 0.706 . . . . 25.0 111.954 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.9 -44.88 94.0 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.8 -41.71 91.81 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 118.403 0.547 . . . . 25.0 110.561 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.55 -46.87 77.84 Favored 'General case' 0 C--O 1.247 0.964 0 C-N-CA 120.466 -0.494 . . . . 25.0 111.052 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.82 -36.98 34.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 C-N-CA 119.284 -0.967 . . . . 25.0 112.093 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -21.42 51.86 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 122.274 1.035 . . . . 25.0 113.044 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.35 176.27 50.52 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 122.228 0.905 . . . . 25.0 111.955 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.88 7.89 1.04 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 118.777 -0.63 . . . . 25.0 111.836 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -67.32 -32.22 73.04 Favored 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 106.12 -1.808 . . . . 25.0 106.12 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.86 148.49 9.8 Favored Glycine 0 C--O 1.202 -1.862 0 N-CA-C 117.019 1.568 . . . . 25.0 117.019 172.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 26.7 p90 . . . . . 0 C--O 1.199 -1.582 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 176.737 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.626 0 CA-C-O 124.407 2.115 . . . . 25.0 115.531 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 2' ' ' ILE . 14.8 mt -60.7 -38.07 77.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 113.801 -1.2 . . . . 25.0 109.485 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.68 -33.03 43.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.48 -0.888 . . . . 25.0 111.001 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.61 -39.46 93.76 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.49 -0.756 . . . . 25.0 108.967 173.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.11 -34.75 79.13 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 122.027 0.917 . . . . 25.0 111.94 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -42.31 83.7 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.235 -0.915 . . . . 25.0 111.221 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.09 -26.62 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 115.085 1.513 . . . . 25.0 115.085 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -89.37 -10.13 47.76 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.512 -0.742 . . . . 25.0 111.584 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -122.03 -161.73 0.95 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.02 120.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HB2' HD12 ' B' ' 6' ' ' LEU . 72.1 m -74.47 155.76 37.66 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.331 -0.856 . . . . 25.0 111.412 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 m -137.42 157.92 45.53 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 13' ' ' LEU . 6.3 mp -52.84 -38.58 61.62 Favored 'General case' 1 C--O 1.335 5.556 0 C-N-CA 124.396 1.078 . . . . 25.0 112.329 -171.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.76 -44.24 96.71 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 118.091 -2.881 . . . . 25.0 114.983 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -70.11 -38.22 75.55 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.933 -1.73 . . . . 25.0 108.296 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB3' HG11 ' B' ' 18' ' ' VAL . 16.0 mt -55.92 -35.1 66.24 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.064 0.852 . . . . 25.0 112.546 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.89 -29.53 20.25 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.037 1.125 . . . . 25.0 114.037 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -64.57 -21.42 66.69 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.312 0.506 . . . . 25.0 112.294 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.11 -6.66 50.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.011 -0.366 . . . . 25.0 110.011 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.62 -5.51 45.56 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 107.91 -1.144 . . . . 25.0 107.91 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.1 t30 . . . . . 0 C--O 1.2 -1.524 0 CA-C-O 123.659 1.695 . . . . 25.0 111.749 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 122.81 1.29 . . . . 25.0 114.349 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.1 t -111.2 130.59 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 104.884 -2.265 . . . . 25.0 104.884 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -133.35 -155.34 0.67 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.374 -1.713 . . . . 25.0 106.374 -173.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.66 -166.69 1.31 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -64.33 131.83 48.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 11' ' ' CYS . 39.4 mt -115.82 108.84 16.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.155 0.502 . . . . 25.0 111.7 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.893 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 C--O 1.235 0.327 0 N-CA-C 112.485 0.55 . . . . 25.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -68.48 -39.54 81.33 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.267 -0.895 . . . . 25.0 111.583 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.55 -39.5 88.58 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.45 -40.4 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.264 0.554 . . . . 25.0 110.289 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -61.8 -43.45 98.83 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.76 -0.587 . . . . 25.0 111.029 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.156 -0.34 . . . . 25.0 111.231 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.65 -44.37 94.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.257 1.027 . . . . 25.0 110.672 173.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -63.01 -41.4 99.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.919 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -63.98 -41.6 97.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.411 HG11 ' HB3' ' A' ' 16' ' ' LEU . 4.9 p -72.87 -29.0 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 121.145 -0.972 . . . . 25.0 111.293 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -35.0 36.85 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 174.68 17.46 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 111.357 -0.697 . . . . 25.0 111.357 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.63 -18.08 61.58 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -9.96 59.72 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 121.347 -0.846 . . . . 25.0 112.236 177.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.2 -178.83 49.46 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-O 119.009 -0.884 . . . . 25.0 111.428 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.211 -0.949 0 CA-C-O 122.08 0.943 . . . . 25.0 109.676 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.437 ' HA2' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 1 N--CA 1.519 4.211 0 CA-C-O 123.267 1.481 . . . . 25.0 114.708 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.79 -41.27 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 113.671 -1.264 . . . . 25.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.35 -32.83 54.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' OE1' ' HA2' ' A' ' 1' ' ' GLY . 36.9 mt-10 -66.65 -45.51 78.76 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -66.67 -46.11 76.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -29.29 67.22 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.183 1.549 . . . . 25.0 115.183 -174.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.24 -13.06 61.43 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 118.13 -0.938 . . . . 25.0 110.807 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -123.46 -22.27 5.09 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.532 0.605 . . . . 25.0 110.697 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -122.44 165.87 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.192 -0.603 . . . . 25.0 109.605 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -79.46 131.61 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -96.22 152.24 18.75 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.371 1.045 . . . . 25.0 108.495 171.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -140.07 160.0 40.91 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 105.131 -2.174 . . . . 25.0 105.131 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.01 -32.81 68.29 Favored 'General case' 1 C--O 1.328 5.208 0 C-N-CA 117.884 -1.526 . . . . 25.0 111.276 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.53 -44.78 95.71 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.682 -2.511 . . . . 25.0 112.229 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.98 -45.89 91.64 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 123.903 0.752 . . . . 25.0 112.517 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.26 -29.66 68.94 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 114.597 1.332 . . . . 25.0 114.597 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.14 -19.56 64.82 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 120.798 -1.189 . . . . 25.0 113.352 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -98.5 -1.46 41.15 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.85 -17.41 41.02 Favored 'General case' 0 C--O 1.184 -2.373 0 CA-C-O 122.608 1.194 . . . . 25.0 109.468 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 C--O 1.208 -1.12 0 C-N-CA 126.787 2.035 . . . . 25.0 116.493 -176.16 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 123.847 1.784 . . . . 25.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.52 119.2 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 O-C-N 118.685 -2.509 . . . . 25.0 109.979 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -80.97 128.73 34.02 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -156.54 -155.77 0.56 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -81.08 76.59 8.02 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.522 1.153 . . . . 25.0 108.643 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.81 66.67 4.35 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.6 -1.636 . . . . 25.0 110.487 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.26 1.617 0 CA-C-N 113.808 -1.542 . . . . 25.0 109.839 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 121.273 0.558 . . . . 25.0 111.804 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -58.19 -28.35 64.7 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.391 -0.814 . . . . 25.0 111.309 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.4 -47.42 86.16 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 118.372 0.533 . . . . 25.0 111.46 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.8 -43.49 93.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.629 -1.169 . . . . 25.0 108.363 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.72 -45.42 89.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -36.1 80.13 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -70.02 -41.46 74.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.396 1.093 . . . . 25.0 111.898 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.67 -38.18 89.35 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 120.631 -1.293 . . . . 25.0 111.668 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.55 -50.34 65.55 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 121.897 -0.502 . . . . 25.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.06 -35.87 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 117.929 -1.508 . . . . 25.0 112.923 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.24 -18.21 34.68 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 167.66 42.8 Favored Glycine 0 C--O 1.202 -1.879 0 O-C-N 120.155 -1.591 . . . . 25.0 111.644 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -68.76 -16.44 63.8 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-O 121.119 0.485 . . . . 25.0 111.347 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.55 16.67 25.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 178.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.39 -151.31 3.7 Favored Glycine 0 N--CA 1.48 1.568 0 N-CA-C 116.28 1.272 . . . . 25.0 116.28 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.563 1.445 0 CA-C-O 121.007 0.432 . . . . 25.0 111.012 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.12 0 CA-C-O 123.161 1.423 . . . . 25.0 116.351 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -52.63 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 114.641 -0.78 . . . . 25.0 110.464 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.24 -33.56 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.411 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.49 -38.08 89.77 Favored 'General case' 0 C--O 1.245 0.866 0 O-C-N 124.076 0.86 . . . . 25.0 110.451 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.62 -46.48 31.38 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 118.366 -0.826 . . . . 25.0 112.941 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.54 -16.14 27.65 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 116.916 2.191 . . . . 25.0 116.916 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -87.1 -13.68 43.52 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-N 119.074 0.852 . . . . 25.0 110.589 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -102.94 152.15 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 106.212 -1.773 . . . . 25.0 106.212 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m 47.94 -155.98 0.06 Allowed 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.412 1.07 . . . . 25.0 110.486 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -126.95 111.26 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 118.726 -0.654 . . . . 25.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.02 161.86 15.64 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-O 122.629 1.204 . . . . 25.0 110.311 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -104.2 158.19 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.868 1.433 . . . . 25.0 114.868 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.37 -28.43 69.76 Favored 'General case' 1 C--O 1.371 7.49 0 O-C-N 118.586 -2.571 . . . . 25.0 111.191 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -59.36 -41.77 90.03 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 116.239 -4.038 . . . . 25.0 110.124 174.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -70.28 -41.96 72.71 Favored 'General case' 0 C--O 1.196 -1.759 0 CA-C-N 114.64 -1.164 . . . . 25.0 109.106 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.69 -38.06 69.17 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 118.513 0.597 . . . . 25.0 110.849 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.12 -16.03 49.6 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 115.519 1.674 . . . . 25.0 115.519 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -70.21 -25.46 63.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 118.497 -0.764 . . . . 25.0 111.686 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -84.92 9.29 14.81 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 124.904 1.377 . . . . 25.0 109.182 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -141.36 -171.11 3.22 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 121.418 -0.801 . . . . 25.0 111.117 -176.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 . . . . . 0 C--N 1.352 0.693 0 CA-C-O 125.643 2.64 . . . . 25.0 110.022 171.765 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 N--CA 1.506 2.326 0 N-CA-C 115.685 1.735 . . . . 25.0 115.685 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.0 118.55 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -77.23 160.89 28.58 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.606 -0.684 . . . . 25.0 111.802 -172.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -174.68 3.2 Favored 'General case' 0 C--O 1.205 -1.277 0 N-CA-C 105.024 -2.213 . . . . 25.0 105.024 169.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -58.35 146.03 36.01 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 119.277 -0.969 . . . . 25.0 108.653 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.39 131.29 12.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.219 0.533 . . . . 25.0 109.891 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.313 -0.988 0 N-CA-C 107.088 -1.449 . . . . 25.0 107.088 -173.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 113.964 1.098 . . . . 25.0 113.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -57.04 -36.54 70.61 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.192 -0.943 . . . . 25.0 111.954 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -40.1 94.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 118.349 0.522 . . . . 25.0 111.029 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.21 -38.63 62.87 Favored 'Isoleucine or valine' 0 C--O 1.264 1.833 0 N-CA-C 107.466 -1.309 . . . . 25.0 107.466 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.62 -44.7 89.71 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.405 0.441 . . . . 25.0 109.821 177.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.61 96.87 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -45.98 90.48 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 118.608 0.64 . . . . 25.0 111.699 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -58.51 -46.1 87.44 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.723 -0.611 . . . . 25.0 112.399 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.28 -46.98 75.13 Favored 'General case' 0 CA--C 1.521 -0.155 0 O-C-N 123.86 0.725 . . . . 25.0 110.685 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.16 -31.66 45.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-O 121.41 0.624 . . . . 25.0 112.539 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.84 -35.84 14.56 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 120.89 -1.132 . . . . 25.0 113.828 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.59 -174.08 34.47 Favored Glycine 0 N--CA 1.428 -1.857 0 CA-C-O 122.524 1.069 . . . . 25.0 112.102 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -70.97 -0.18 8.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.519 1.303 . . . . 25.0 114.519 -168.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -33.99 77.15 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.9 160.77 36.84 Favored Glycine 0 C--O 1.193 -2.453 0 C-N-CA 120.376 -0.916 . . . . 25.0 114.116 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 p90 . . . . . 0 CA--C 1.569 1.7 0 C-N-CA 124.815 1.246 . . . . 25.0 110.272 -176.21 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.568 0 CA-C-O 125.206 2.559 . . . . 25.0 116.457 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 mt -63.38 -32.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 119.483 -2.186 . . . . 25.0 108.464 172.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.53 -36.87 76.02 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.983 0 O-C-N 121.095 -1.003 . . . . 25.0 111.005 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.64 -38.69 73.9 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -62.18 -37.67 86.16 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-O 121.75 0.786 . . . . 25.0 110.727 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.47 -41.87 72.18 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.663 -0.699 . . . . 25.0 109.675 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.1 -32.4 73.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 119.476 -0.89 . . . . 25.0 111.396 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -75.61 -7.46 54.31 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.23 -1.544 . . . . 25.0 109.028 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -116.79 -161.54 0.81 Allowed 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 172.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.2 mm -113.21 116.91 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.19 142.19 38.12 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.361 1.077 . . . . 25.0 109.53 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 m -119.9 159.28 24.97 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.184 -0.948 . . . . 25.0 109.182 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.99 -40.56 85.24 Favored 'General case' 1 C--O 1.334 5.514 0 C-N-CA 123.812 0.845 . . . . 25.0 111.984 -175.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -56.1 -40.33 73.51 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.826 -2.421 . . . . 25.0 112.551 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.3 -44.48 62.67 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.15 -30.84 66.67 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 113.801 -1.545 . . . . 25.0 111.141 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.43 -29.45 67.77 Favored 'General case' 0 C--O 1.193 -1.896 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.65 -19.2 62.82 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 119.519 -0.872 . . . . 25.0 111.124 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -79.43 -15.57 57.6 Favored 'General case' 0 C--O 1.206 -1.215 0 C-N-CA 118.869 -1.132 . . . . 25.0 111.06 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.51 154.88 22.43 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 122.042 0.925 . . . . 25.0 108.57 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 C--O 1.197 -1.675 0 CA-C-O 125.817 2.722 . . . . 25.0 110.686 178.351 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 124.041 1.877 . . . . 25.0 113.819 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.426 HG12 ' H ' ' B' ' 4' ' ' GLN . 64.3 t -104.81 123.23 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 114.208 -1.36 . . . . 25.0 108.657 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -78.72 0.46 26.64 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 116.797 2.147 . . . . 25.0 116.797 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.426 ' H ' HG12 ' B' ' 2' ' ' VAL . 7.5 mp0 -76.49 -172.39 2.15 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.381 -1.34 . . . . 25.0 107.381 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -66.98 119.09 11.38 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.381 1.086 . . . . 25.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -84.19 125.08 31.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.437 -1.32 . . . . 25.0 107.437 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.736 0 N-CA-C 102.231 -3.248 . . . . 25.0 102.231 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.502 2.133 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -61.49 -43.43 98.88 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.285 -0.884 . . . . 25.0 112.013 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.63 -45.36 87.17 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.465 -1.243 . . . . 25.0 108.876 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.63 -44.74 79.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 -173.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -60.86 -46.78 89.23 Favored 'General case' 0 C--N 1.311 -1.099 0 O-C-N 121.815 -0.553 . . . . 25.0 111.298 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.48 88.99 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 122.029 -0.419 . . . . 25.0 111.823 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.28 -47.31 82.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.227 -0.897 . . . . 25.0 109.717 174.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.3 -35.8 80.2 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.979 -1.076 . . . . 25.0 110.502 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.79 -49.54 77.07 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.229 0.33 . . . . 25.0 110.847 174.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.56 -25.26 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 25.0 112.56 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -86.69 -29.79 22.19 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.014 -1.054 . . . . 25.0 112.914 177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 176.08 31.11 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 120.695 -1.253 . . . . 25.0 111.758 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.7 -16.91 62.3 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.209 -0.996 . . . . 25.0 113.542 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -20.71 66.19 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 124.205 0.941 . . . . 25.0 112.139 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 165.43 39.29 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-O 118.502 -1.166 . . . . 25.0 111.442 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.208 -1.095 0 O-C-N 124.415 0.715 . . . . 25.0 111.037 -177.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.589 0 CA-C-O 126.233 3.13 . . . . 25.0 116.386 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.18 -42.2 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 112.023 -2.088 . . . . 25.0 109.162 -177.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 p -64.07 -38.3 82.07 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.967 0 N-CA-C 108.199 -1.037 . . . . 25.0 108.199 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.83 -50.11 74.74 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 123.179 0.299 . . . . 25.0 110.915 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -69.66 -40.41 76.47 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.86 -27.15 14.42 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 119.299 3.074 . . . . 25.0 119.299 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.1 -29.69 70.06 Favored 'General case' 0 C--O 1.254 1.325 0 O-C-N 120.353 -1.467 . . . . 25.0 109.459 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -85.21 -0.84 55.91 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 122.822 1.296 . . . . 25.0 111.07 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -136.66 -162.6 1.3 Allowed 'General case' 0 C--O 1.247 0.948 0 N-CA-C 106.835 -1.543 . . . . 25.0 106.835 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -108.31 -37.58 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 121.831 0.824 . . . . 25.0 112.928 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 m 56.87 -159.94 0.23 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.932 0.893 . . . . 25.0 112.898 -176.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.9 p -155.94 160.33 40.01 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 123.149 1.452 . . . . 25.0 109.101 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.57 -28.29 69.24 Favored 'General case' 1 C--O 1.338 5.754 0 O-C-N 120.687 -1.258 . . . . 25.0 107.981 172.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.0 -41.09 91.5 Favored 'General case' 0 C--O 1.209 -1.071 1 O-C-N 114.914 -4.866 . . . . 25.0 112.892 175.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.96 -43.09 75.71 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 120.286 -1.509 . . . . 25.0 109.081 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -58.41 -33.84 70.11 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.838 0.711 . . . . 25.0 112.151 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.25 -17.83 13.47 Favored 'General case' 0 C--O 1.199 -1.587 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.59 -19.78 62.09 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.276 -0.869 . . . . 25.0 111.472 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.05 -9.43 48.54 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 119.417 1.008 . . . . 25.0 108.824 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -88.44 131.88 34.7 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 124.628 1.205 . . . . 25.0 113.946 -175.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--N 1.295 -1.779 0 CA-C-O 123.753 1.739 . . . . 25.0 112.109 176.685 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.517 2.923 0 CA-C-O 122.34 1.067 . . . . 25.0 112.57 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.82 140.52 36.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-N 115.199 -0.91 . . . . 25.0 110.207 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.17 124.9 38.48 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.764 0.792 . . . . 25.0 109.306 -175.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -133.27 -171.11 2.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 102.284 -3.228 . . . . 25.0 102.284 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -58.42 145.48 38.38 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.7 mt -116.5 100.56 7.94 Favored 'General case' 0 C--O 1.252 1.186 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.438 -1.055 0 O-C-N 124.519 1.137 . . . . 25.0 111.008 179.509 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.195 -1.783 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 117.606 -1.188 . . . . 25.0 109.211 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.71 -46.16 89.95 Favored 'General case' 0 C--O 1.202 -1.434 0 O-C-N 124.233 0.958 . . . . 25.0 110.587 173.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.98 -44.65 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.582 0.706 . . . . 25.0 111.269 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.57 -42.45 92.49 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 120.795 -1.191 . . . . 25.0 110.838 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.21 93.95 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 118.819 0.736 . . . . 25.0 112.22 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.56 -42.77 99.33 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 121.71 0.767 . . . . 25.0 110.601 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.69 -45.4 75.25 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.096 -0.956 . . . . 25.0 110.554 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.96 -41.22 87.26 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 115.71 1.745 . . . . 25.0 115.71 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.33 -37.0 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 122.214 1.007 . . . . 25.0 111.629 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.3 t -77.92 -38.88 44.53 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 113.686 0.995 . . . . 25.0 113.686 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -145.6 17.79 Favored Glycine 0 C--O 1.265 2.071 0 N-CA-C 109.43 -1.468 . . . . 25.0 109.43 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -95.65 4.87 52.66 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 117.658 0.729 . . . . 25.0 111.318 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.04 -20.94 60.89 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.446 1.647 . . . . 25.0 115.446 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 144.18 14.16 Favored Glycine 0 C--O 1.22 -0.753 0 O-C-N 121.182 -0.949 . . . . 25.0 113.397 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 . . . . . 0 N--CA 1.491 1.602 0 CA-C-N 118.825 1.313 . . . . 25.0 108.458 176.144 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.468 -2.904 0 CA-C-O 127.316 3.731 . . . . 25.0 112.903 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.406 HG13 ' H ' ' A' ' 2' ' ' ILE . 16.0 mt -53.73 -51.97 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 110.756 -2.722 . . . . 25.0 111.784 -173.008 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.54 -35.18 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 O-C-N 121.584 -0.697 . . . . 25.0 111.057 -177.28 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.22 -37.56 85.85 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 117.987 -1.006 . . . . 25.0 110.107 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.75 -36.2 20.29 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.992 1.269 . . . . 25.0 110.037 -174.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.67 -17.07 10.01 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 118.337 2.718 . . . . 25.0 118.337 -167.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.62 -48.74 5.68 Favored 'General case' 0 C--O 1.206 -1.218 0 C-N-CA 119.669 -0.812 . . . . 25.0 112.172 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -72.09 -12.97 61.45 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.228 -1.545 . . . . 25.0 109.139 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -128.05 -177.8 4.28 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.3 119.59 35.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 118.656 0.662 . . . . 25.0 110.664 175.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t -86.75 166.63 15.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -144.11 152.24 40.67 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.832 0.825 . . . . 25.0 113.11 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.95 -29.97 68.77 Favored 'General case' 1 C--O 1.323 4.933 0 CA-C-O 122.664 1.221 . . . . 25.0 112.404 178.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.52 -40.88 93.48 Favored 'General case' 0 C--O 1.19 -2.063 1 O-C-N 115.493 -4.504 . . . . 25.0 116.077 172.504 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.07 -36.77 75.21 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 112.584 -2.098 . . . . 25.0 106.563 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.26 -32.71 73.45 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.32 -27.08 65.56 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 122.004 -0.435 . . . . 25.0 111.706 176.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -69.71 -13.37 62.26 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 113.872 1.064 . . . . 25.0 113.872 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -91.08 2.34 56.4 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.941 0.877 . . . . 25.0 108.834 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -138.48 -84.06 0.29 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.277 -0.874 . . . . 25.0 108.981 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 N--CA 1.425 -1.692 0 CA-C-O 126.869 3.223 . . . . 25.0 114.753 175.714 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 127.088 3.328 . . . . 25.0 119.673 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.2 t -77.79 119.08 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 112.979 -1.918 . . . . 25.0 108.109 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -85.6 88.22 7.5 Favored 'General case' 0 C--O 1.199 -1.581 0 O-C-N 121.295 -0.878 . . . . 25.0 109.461 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -136.65 -153.42 0.49 Allowed 'General case' 0 CA--C 1.571 1.78 0 CA-C-N 114.781 -1.099 . . . . 25.0 108.427 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -69.89 91.95 0.68 Allowed 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.559 -1.338 . . . . 25.0 109.679 172.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.9 111.29 18.65 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.262 1.722 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.455 179.102 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.5 p . . . . . 0 C--O 1.257 1.494 0 N-CA-C 112.335 0.495 . . . . 25.0 112.335 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -63.47 -43.69 96.61 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 118.114 -1.434 . . . . 25.0 113.087 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.63 -41.68 98.24 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 114.157 -1.383 . . . . 25.0 109.517 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.08 -43.36 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 -177.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.08 -41.7 99.48 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 179.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.52 98.45 Favored 'General case' 0 CA--C 1.558 1.285 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.75 -44.61 92.95 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.311 -0.852 . . . . 25.0 109.949 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.95 -38.46 82.5 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-N 119.521 1.055 . . . . 25.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.98 -41.92 77.22 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 115.187 -0.915 . . . . 25.0 110.685 -177.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.93 -32.89 15.75 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.677 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 -177.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 t -81.74 -34.78 30.32 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.383 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.1 168.58 13.54 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 114.222 0.449 . . . . 25.0 114.222 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -2.64 15.45 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 119.687 -2.067 . . . . 25.0 110.704 -177.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -3.6 58.6 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 123.967 0.792 . . . . 25.0 109.845 -176.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.91 -173.14 48.69 Favored Glycine 0 CA--C 1.49 -1.483 0 N-CA-C 107.667 -2.173 . . . . 25.0 107.667 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.497 -1.082 0 N-CA-C 115.501 1.667 . . . . 25.0 115.501 -175.293 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 3.881 0 CA-C-O 127.398 3.777 . . . . 25.0 113.602 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 mt -65.49 -26.44 39.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 111.36 -2.42 . . . . 25.0 106.156 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.3 m -64.38 -38.31 82.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 121.508 -0.745 . . . . 25.0 109.984 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -77.04 -28.48 54.85 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 178.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.48 -37.14 77.12 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.98 -38.41 69.72 Favored 'General case' 0 C--O 1.195 -1.789 0 C-N-CA 122.854 0.462 . . . . 25.0 111.921 178.087 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -57.13 -40.39 77.06 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.491 1.116 . . . . 25.0 112.744 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -83.83 -6.3 59.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 122.75 1.262 . . . . 25.0 110.067 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -118.98 -156.4 0.65 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.058 -0.974 . . . . 25.0 109.707 179.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.09 121.76 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 N-CA-C 102.652 -3.092 . . . . 25.0 102.652 174.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.75 140.36 29.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.021 -0.991 . . . . 25.0 110.156 -176.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.6 p -96.02 155.24 16.84 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -58.11 -33.73 69.44 Favored 'General case' 1 C--O 1.339 5.811 0 O-C-N 118.766 -2.459 . . . . 25.0 111.366 174.415 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.26 -50.67 66.69 Favored 'General case' 0 C--O 1.202 -1.416 1 O-C-N 115.643 -4.411 . . . . 25.0 110.785 174.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.23 -40.76 96.71 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 121.102 -0.999 . . . . 25.0 111.505 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -34.58 69.45 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 118.944 0.793 . . . . 25.0 111.698 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.12 -17.93 65.03 Favored 'General case' 0 CA--C 1.484 -1.578 0 N-CA-C 114.973 1.472 . . . . 25.0 114.973 179.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -15.72 62.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 120.038 -0.665 . . . . 25.0 111.932 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -87.73 -8.6 55.84 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 119.34 -0.944 . . . . 25.0 110.177 174.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.92 -148.88 0.41 Allowed 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 -174.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 126.998 3.285 . . . . 25.0 111.642 -179.091 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 114.904 1.446 . . . . 25.0 114.904 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -114.98 154.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -103.43 11.8 36.05 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.519 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.26 -156.88 0.6 Allowed 'General case' 0 C--O 1.256 1.423 0 C-N-CA 122.791 0.436 . . . . 25.0 110.297 -176.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -57.81 147.52 28.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.063 1.134 . . . . 25.0 114.063 -178.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.1 mt -126.8 99.03 5.59 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.219 1.009 . . . . 25.0 109.291 172.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.265 1.884 0 CA-C-N 114.522 -1.217 . . . . 25.0 111.818 179.861 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -70.84 -37.38 73.15 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.175 -1.578 . . . . 25.0 111.068 -175.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.44 -43.21 67.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 106.402 -1.703 . . . . 25.0 106.402 -175.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.62 -44.42 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.585 178.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.71 -42.45 86.35 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.904 -1.518 . . . . 25.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.45 -33.22 72.24 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.87 -37.2 48.72 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 115.566 -0.743 . . . . 25.0 111.879 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.69 -43.62 96.08 Favored 'General case' 0 C--O 1.275 2.432 0 CA-C-O 117.954 -1.022 . . . . 25.0 109.353 172.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.65 -44.66 89.74 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.665 1.228 . . . . 25.0 113.762 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.21 -29.61 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 119.802 -0.759 . . . . 25.0 111.687 -178.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.4 m -77.12 -37.72 53.57 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 118.761 -1.176 . . . . 25.0 110.866 178.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.09 -178.36 18.22 Favored Glycine 0 C--O 1.209 -1.455 0 N-CA-C 109.379 -1.488 . . . . 25.0 109.379 -175.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -65.83 -22.75 66.57 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 122.229 1.014 . . . . 25.0 113.336 -171.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -20.27 65.6 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.24 -0.891 . . . . 25.0 112.746 175.239 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.53 -153.9 52.93 Favored Glycine 0 C--O 1.203 -1.783 0 CA-C-O 122.429 1.016 . . . . 25.0 111.792 177.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 C--O 1.25 1.087 0 N-CA-C 106.957 -1.498 . . . . 25.0 106.957 -175.323 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.787 0 N-CA-C 111.066 -0.813 . . . . 25.0 111.066 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt -54.24 -42.22 55.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 121.241 -1.152 . . . . 25.0 111.207 176.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.5 -40.81 90.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.142 -0.974 . . . . 25.0 111.53 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -80.05 -19.91 46.51 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 118.259 0.481 . . . . 25.0 111.384 -178.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -89.06 -34.41 16.79 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.976 1.473 . . . . 25.0 114.976 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m -116.27 -22.0 9.06 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 118.192 2.664 . . . . 25.0 118.192 -176.151 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.65 -9.85 39.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.082 -1.011 . . . . 25.0 111.329 -175.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.99 135.02 40.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 166.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 t 52.91 -144.34 0.65 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-N 116.482 -0.326 . . . . 25.0 110.75 -176.111 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.02 127.44 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 121.031 -1.043 . . . . 25.0 108.661 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.33 127.95 36.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 122.274 1.035 . . . . 25.0 112.242 -175.893 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.322 0.582 . . . . 25.0 111.268 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -61.44 -32.7 72.69 Favored 'General case' 1 C--O 1.37 7.395 0 C-N-CA 126.443 1.897 . . . . 25.0 109.902 174.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.3 -34.34 75.07 Favored 'General case' 0 C--O 1.196 -1.752 0 O-C-N 117.509 -3.244 . . . . 25.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.17 -38.66 35.34 Favored 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 107.59 -1.263 . . . . 25.0 107.59 -179.108 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.41 -27.86 62.75 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 176.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -63.65 -27.82 69.48 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 120.957 0.408 . . . . 25.0 112.097 175.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.48 -20.95 66.17 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.092 -1.005 . . . . 25.0 109.698 -179.118 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -84.33 3.16 37.02 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 t -125.5 -149.89 0.43 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.276 1.036 . . . . 25.0 109.399 178.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 . . . . . 0 C--O 1.199 -1.572 0 CA-C-O 124.468 2.08 . . . . 25.0 115.339 -179.818 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--O 1.176 -2.767 0 CA-C-O 121.665 0.745 . . . . 25.0 112.776 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 t -124.25 129.48 74.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 122.969 1.366 . . . . 25.0 110.138 -177.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -83.98 141.89 30.89 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.689 -1.597 . . . . 25.0 106.689 175.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.456 ' HG3' ' H ' ' B' ' 5' ' ' HIS . 6.3 tp-100 -157.07 -157.93 0.72 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 -177.646 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.456 ' H ' ' HG3' ' B' ' 4' ' ' GLN . 96.2 m-70 -73.69 69.81 1.33 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.508 1.123 . . . . 25.0 109.267 169.477 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.92 101.91 1.47 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.414 -171.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 115.817 1.784 . . . . 25.0 115.817 -176.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 123.171 1.463 . . . . 25.0 112.626 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -60.61 -36.46 78.65 Favored 'General case' 0 C--O 1.201 -1.484 0 O-C-N 118.899 -2.376 . . . . 25.0 115.059 172.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.86 -43.14 97.01 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.417 1.103 . . . . 25.0 109.237 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -61.33 -47.25 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.619 0 CA-C-N 114.904 -1.044 . . . . 25.0 109.385 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.0 -44.36 97.54 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 175.4 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.83 83.35 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 121.924 -0.485 . . . . 25.0 111.764 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -43.35 96.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.202 0.525 . . . . 25.0 110.397 177.229 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.59 -41.57 98.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.621 -1.172 . . . . 25.0 109.899 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.0 -47.11 81.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 118.664 -0.684 . . . . 25.0 110.356 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.65 -27.46 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 120.022 -0.671 . . . . 25.0 109.999 -169.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.24 -19.8 17.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.5 -0.75 . . . . 25.0 111.496 -175.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.6 172.11 33.32 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 120.692 -1.255 . . . . 25.0 112.12 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -69.68 -4.92 21.63 Favored 'General case' 0 C--O 1.25 1.117 0 CA-C-O 118.374 -0.822 . . . . 25.0 112.514 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.94 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.976 0.797 . . . . 25.0 112.464 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.57 169.5 40.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.595 1.184 . . . . 25.0 115.301 179.351 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 p90 . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 122.152 0.977 . . . . 25.0 108.651 -175.284 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.304 0 CA-C-O 124.145 1.969 . . . . 25.0 113.603 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.83 -42.5 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 114.279 -0.96 . . . . 25.0 110.512 -177.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.947 -0.569 . . . . 25.0 110.351 173.139 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.39 -39.62 91.35 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.244 177.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -74.79 -38.72 62.06 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.284 0.476 . . . . 25.0 112.284 -178.019 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.0 -19.99 20.37 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 116.729 2.122 . . . . 25.0 116.729 -172.111 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -80.1 0.24 32.93 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 119.215 0.916 . . . . 25.0 109.848 177.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -127.72 157.81 39.32 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 103.996 -2.594 . . . . 25.0 103.996 176.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t 49.51 -154.34 0.11 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 122.813 0.445 . . . . 25.0 110.682 -171.315 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.28 134.13 45.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.271 0 O-C-N 121.972 -0.455 . . . . 25.0 110.97 178.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.43 121.6 40.57 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.568 1.167 . . . . 25.0 109.704 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -118.06 135.75 53.99 Favored 'General case' 0 C--O 1.265 1.919 0 CA-C-N 115.219 -0.9 . . . . 25.0 112.277 -173.116 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.02 -37.6 69.4 Favored 'General case' 1 C--O 1.324 4.996 0 O-C-N 125.193 1.558 . . . . 25.0 108.545 179.57 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -54.85 -39.41 68.59 Favored 'General case' 0 C--N 1.367 1.348 1 O-C-N 116.09 -4.131 . . . . 25.0 112.406 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.82 -33.12 46.36 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 119.029 -2.294 . . . . 25.0 112.484 -178.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.79 -28.41 69.97 Favored 'General case' 0 C--O 1.259 1.595 0 O-C-N 121.895 -0.503 . . . . 25.0 110.54 173.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -56.1 -30.33 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 119.448 -0.901 . . . . 25.0 111.033 175.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -65.25 -18.91 65.69 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 -176.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -96.59 1.43 51.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.691 -0.63 . . . . 25.0 112.253 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.7 t -77.29 -6.71 54.2 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.161 0.981 . . . . 25.0 108.813 172.183 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.187 -2.224 0 CA-C-O 126.15 2.881 . . . . 25.0 113.321 178.392 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 123.311 1.529 . . . . 25.0 113.803 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -59.93 146.96 9.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 113.085 -1.871 . . . . 25.0 111.946 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -81.64 -143.83 0.05 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.73 -1.123 . . . . 25.0 108.881 177.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -163.86 0.22 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-O 121.725 0.774 . . . . 25.0 110.05 171.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -92.19 95.29 9.65 Favored 'General case' 0 C--O 1.25 1.132 0 CA-C-N 114.464 -1.244 . . . . 25.0 111.921 -170.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.83 131.05 39.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.269 0.557 . . . . 25.0 111.525 179.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 97.4 m . . . . . 0 CA--C 1.509 -0.61 0 CA-C-N 114.746 -1.115 . . . . 25.0 112.131 -177.623 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.195 -1.798 0 N-CA-C 112.006 0.373 . . . . 25.0 112.006 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -67.58 -34.57 77.3 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 120.565 -1.334 . . . . 25.0 111.237 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.41 -44.55 74.81 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 175.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-O 122.047 0.927 . . . . 25.0 110.257 -176.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -68.38 -34.98 77.03 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.22 -178.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.53 83.02 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 123.371 1.558 . . . . 25.0 111.314 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.64 -38.7 77.26 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-N 113.831 -1.531 . . . . 25.0 110.008 -178.749 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.05 -44.29 94.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 124.698 1.249 . . . . 25.0 110.358 174.059 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.06 -33.4 75.71 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.934 1.827 . . . . 25.0 115.934 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.58 -28.98 8.7 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 C-N-CA 119.549 -0.86 . . . . 25.0 112.479 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -91.38 -28.75 17.49 Favored 'General case' 0 C--O 1.278 2.572 0 CA-C-N 118.357 0.526 . . . . 25.0 110.877 -176.161 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 -179.37 28.05 Favored Glycine 0 N--CA 1.474 1.198 0 N-CA-C 109.326 -1.509 . . . . 25.0 109.326 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.87 -8.59 49.81 Favored 'General case' 0 C--O 1.194 -1.852 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 178.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.08 -28.25 69.48 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 118.774 -0.631 . . . . 25.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.35 158.19 32.57 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.582 -0.607 . . . . 25.0 111.582 178.035 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 . . . . . 0 C--O 1.22 -0.49 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.938 -175.524 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.455 0 CA-C-O 124.219 2.011 . . . . 25.0 114.725 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.33 -42.45 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 O-C-N 119.962 -1.905 . . . . 25.0 111.721 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.09 -44.15 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 120.912 0.387 . . . . 25.0 110.268 178.376 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -67.52 -34.26 76.75 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.399 -0.364 . . . . 25.0 110.971 -173.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -90.93 -37.89 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -174.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.7 m -119.3 -3.25 10.54 Favored 'General case' 0 C--O 1.19 -2.031 0 N-CA-C 116.36 1.985 . . . . 25.0 116.36 -169.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -93.51 -38.32 11.46 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 119.448 1.022 . . . . 25.0 110.341 172.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -75.08 -13.18 60.46 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.33 0.586 . . . . 25.0 109.943 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -133.88 -162.81 1.28 Allowed 'General case' 0 C--O 1.261 1.659 0 N-CA-C 104.886 -2.264 . . . . 25.0 104.886 179.537 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -127.42 109.84 21.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.305 170.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -82.68 157.09 23.48 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.841 0.829 . . . . 25.0 112.7 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.1 m -83.68 158.14 21.94 Favored 'General case' 0 C--O 1.272 2.273 0 CA-C-N 114.047 -1.433 . . . . 25.0 109.586 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 -30.88 71.91 Favored 'General case' 1 C--O 1.319 4.732 0 O-C-N 120.372 -1.455 . . . . 25.0 111.201 -176.308 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -52.51 -54.97 25.54 Favored 'General case' 0 C--O 1.19 -2.037 0 O-C-N 119.443 -2.036 . . . . 25.0 111.092 169.285 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.3 -42.11 90.55 Favored 'General case' 0 C--O 1.183 -2.426 0 O-C-N 119.268 -2.145 . . . . 25.0 112.666 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.05 -28.63 64.69 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.033 -0.984 . . . . 25.0 112.914 175.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.16 -28.62 62.93 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.355 -1.338 . . . . 25.0 112.331 173.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.619 -0.676 . . . . 25.0 110.982 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.83 -11.02 54.44 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.281 0.562 . . . . 25.0 110.496 -178.01 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 t -99.0 -19.49 17.25 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 122.571 1.177 . . . . 25.0 107.836 174.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.17 -3.093 0 O-C-N 121.277 -0.89 . . . . 25.0 110.682 -170.502 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 122.523 1.154 . . . . 25.0 111.229 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.2 t -80.85 87.67 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -179.505 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -84.35 67.48 9.86 Favored 'General case' 0 C--O 1.199 -1.568 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 -178.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -124.9 179.08 5.17 Favored 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 105.874 -1.898 . . . . 25.0 105.874 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -41.63 117.44 0.92 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 174.237 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.16 84.73 6.13 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 113.974 -1.466 . . . . 25.0 113.117 -174.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.207 -1.167 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 179.792 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.189 -2.126 0 N-CA-C 114.695 1.368 . . . . 25.0 114.695 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' B' ' 10' ' ' HIS . 0.0 OUTLIER -72.28 -35.04 68.61 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 120.519 -1.363 . . . . 25.0 109.411 -175.854 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -43.9 89.98 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.043 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.27 -42.94 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.65 -0.657 . . . . 25.0 109.634 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -61.26 -49.21 78.0 Favored 'General case' 0 C--O 1.192 -1.942 0 O-C-N 121.628 -0.67 . . . . 25.0 111.271 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.46 88.1 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.608 -0.683 . . . . 25.0 110.832 178.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.377 -0.827 . . . . 25.0 111.731 178.154 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -65.7 -42.92 90.61 Favored 'General case' 0 C--O 1.199 -1.599 0 C-N-CA 124.466 1.106 . . . . 25.0 112.024 179.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.79 -40.59 83.91 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 176.134 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.59 -31.5 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.192 0 C-N-CA 119.657 -0.817 . . . . 25.0 112.54 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -13.41 18.67 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.899 -0.72 . . . . 25.0 112.26 -173.161 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -169.71 25.46 Favored Glycine 0 CA--C 1.537 1.422 0 N-CA-C 111.561 -0.616 . . . . 25.0 111.561 175.114 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.22 -25.5 64.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 O-C-N 121.45 -1.03 . . . . 25.0 111.176 -176.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -64.65 -32.88 74.74 Favored 'General case' 0 CA--C 1.481 -1.683 0 O-C-N 125.638 1.836 . . . . 25.0 108.029 -173.29 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.33 -176.41 38.13 Favored Glycine 0 C--O 1.211 -1.319 0 O-C-N 124.753 1.283 . . . . 25.0 111.04 172.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.8 p90 . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 174.469 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.202 -1.88 0 CA-C-O 124.606 2.225 . . . . 25.0 113.277 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.28 -38.25 60.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 O-C-N 121.225 -1.162 . . . . 25.0 108.279 -179.164 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.32 -44.5 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 CA-C-O 118.141 -0.933 . . . . 25.0 109.956 -178.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.81 -48.45 81.75 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 119.955 -0.698 . . . . 25.0 110.493 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -71.28 -38.99 71.79 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 116.633 2.086 . . . . 25.0 116.633 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.6 t -105.43 -21.57 13.2 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 118.84 2.904 . . . . 25.0 118.84 -170.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -82.55 -15.05 53.74 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 119.038 -2.288 . . . . 25.0 109.001 -175.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -102.02 151.36 22.23 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 176.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m 55.6 -168.04 0.09 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 -171.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -76.78 -40.96 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.979 0 O-C-N 121.141 -0.974 . . . . 25.0 112.953 -172.514 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.6 t 66.2 80.84 0.21 Allowed 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 122.959 1.362 . . . . 25.0 111.547 -172.049 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -64.31 159.88 20.04 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.267 -0.896 . . . . 25.0 109.63 -169.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -53.87 -36.19 62.37 Favored 'General case' 1 C--O 1.348 6.243 0 CA-C-O 122.358 1.075 . . . . 25.0 110.995 178.706 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -54.5 -50.63 67.36 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 118.053 -2.904 . . . . 25.0 113.093 171.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.11 -40.3 94.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.328 -0.858 . . . . 25.0 110.373 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.05 -41.81 93.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.548 0.739 . . . . 25.0 111.945 -178.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -26.8 62.81 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-N 115.495 -0.775 . . . . 25.0 112.192 177.243 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.25 -17.78 62.47 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.943 1.247 . . . . 25.0 112.117 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -77.41 -4.34 44.82 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 121.306 -0.871 . . . . 25.0 111.638 174.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -95.37 -160.35 0.78 Allowed 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 122.095 0.95 . . . . 25.0 111.773 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 120.051 -1.655 . . . . 25.0 114.217 -174.983 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 CA--C 1.581 2.171 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.6 t -99.46 124.07 52.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 104.846 -2.279 . . . . 25.0 104.846 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -110.27 36.29 3.11 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.824 0.821 . . . . 25.0 112.229 -171.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -99.08 -157.95 0.64 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 113.752 -1.567 . . . . 25.0 109.268 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -69.34 91.14 0.53 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.259 -0.877 . . . . 25.0 111.819 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.82 124.39 21.87 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 178.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.313 -0.983 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 176.267 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.208 -1.089 0 CA-C-O 121.357 0.599 . . . . 25.0 111.064 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -69.8 -33.41 72.33 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.595 -1.316 . . . . 25.0 109.003 -174.659 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.58 -47.25 73.35 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 174.656 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.25 -48.77 76.15 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.179 0 C-N-CA 123.084 0.554 . . . . 25.0 110.577 178.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.04 -47.97 80.72 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.166 -0.959 . . . . 25.0 111.263 179.414 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.99 87.1 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 122.077 -0.389 . . . . 25.0 110.502 -178.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -37.4 85.96 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 123.786 0.679 . . . . 25.0 110.129 -178.661 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.37 -43.11 86.84 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.763 1.289 . . . . 25.0 110.865 176.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.37 -39.14 85.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.687 0.995 . . . . 25.0 113.687 179.162 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -79.68 -34.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.99 -1.084 . . . . 25.0 109.631 -175.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.35 -32.33 24.3 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.91 -1.744 . . . . 25.0 110.783 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.66 -174.88 15.54 Favored Glycine 0 C--O 1.211 -1.313 0 CA-C-O 122.501 1.056 . . . . 25.0 112.425 177.028 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -66.43 -27.8 68.12 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 121.902 0.858 . . . . 25.0 111.527 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.49 48.66 1.68 Allowed 'General case' 0 C--O 1.189 -2.106 0 CA-C-N 114.521 -1.218 . . . . 25.0 109.307 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.63 -176.96 1.67 Allowed Glycine 0 CA--C 1.551 2.317 0 N-CA-C 119.826 2.69 . . . . 25.0 119.826 -171.173 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 p90 . . . . . 0 N--CA 1.437 -1.123 0 CA-C-N 112.362 -1.919 . . . . 25.0 114.284 -179.771 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.423 0 N-CA-C 116.939 1.536 . . . . 25.0 116.939 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.0 mt -69.2 -39.57 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.174 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 174.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.86 -40.27 84.66 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.522 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.88 -26.44 61.44 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -177.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -83.96 -44.93 13.7 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 -23.1 11.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 118.071 2.619 . . . . 25.0 118.071 -170.405 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -81.18 -3.24 51.57 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 118.307 -1.357 . . . . 25.0 112.825 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -112.65 147.78 36.02 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 103.572 -2.751 . . . . 25.0 103.572 171.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t 56.3 -172.23 0.07 Allowed 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 122.127 0.965 . . . . 25.0 108.946 -168.196 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.7 mm -92.1 125.8 44.72 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 O-C-N 120.867 -1.146 . . . . 25.0 111.969 -172.577 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.31 153.94 18.27 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 121.821 -0.549 . . . . 25.0 109.76 -178.634 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -150.65 158.47 44.19 Favored 'General case' 0 C--O 1.198 -1.62 0 O-C-N 124.111 0.882 . . . . 25.0 111.298 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.46 -31.87 62.32 Favored 'General case' 1 C--O 1.306 4.043 0 CA-C-O 122.874 1.321 . . . . 25.0 109.085 176.537 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -51.79 -52.27 50.23 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 117.792 -3.067 . . . . 25.0 113.66 171.649 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.05 -39.31 83.05 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.876 -1.14 . . . . 25.0 112.202 174.57 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.37 -27.54 62.39 Favored 'General case' 0 C--O 1.263 1.796 0 N-CA-C 115.506 1.669 . . . . 25.0 115.506 179.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -60.84 -23.74 65.36 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 114.988 1.477 . . . . 25.0 114.988 172.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.11 -15.63 63.84 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.516 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -105.95 5.55 30.58 Favored 'General case' 0 C--O 1.193 -1.903 0 CA-C-O 122.422 1.106 . . . . 25.0 111.736 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.3 t -103.55 -35.29 8.36 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 122.218 1.009 . . . . 25.0 109.772 175.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.197 -1.695 0 CA-C-O 127.747 3.641 . . . . 25.0 116.354 -175.143 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.513 2.704 0 N-CA-C 115.74 1.756 . . . . 25.0 115.74 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -125.21 131.55 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 CA-C-N 114.139 -1.391 . . . . 25.0 108.145 -173.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -94.57 -104.25 0.14 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 174.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 54.85 -139.02 1.04 Allowed 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 176.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -107.83 73.83 0.92 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.468 1.031 . . . . 25.0 109.351 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.14 129.96 43.24 Favored 'General case' 0 C--O 1.269 2.097 0 N-CA-C 105.419 -2.067 . . . . 25.0 105.419 -179.146 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.293 -1.882 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 -174.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 123.248 1.499 . . . . 25.0 110.852 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -68.67 -39.49 80.58 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 122.29 1.043 . . . . 25.0 111.495 179.072 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.54 -40.81 69.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 119.276 -0.97 . . . . 25.0 110.824 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.37 -44.17 91.9 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-O 119.432 -0.318 . . . . 25.0 111.728 173.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.31 -41.75 97.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 122.393 1.092 . . . . 25.0 112.096 178.091 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.73 81.82 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 114.484 -1.234 . . . . 25.0 112.661 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -40.2 74.63 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 -179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' B' ' 21' ' ' GLU . 79.9 t80 -61.24 -39.44 90.32 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.17 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.94 -42.03 85.97 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 115.81 1.781 . . . . 25.0 115.81 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 m -77.27 -26.74 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.037 -1.039 . . . . 25.0 113.039 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.49 -39.57 14.09 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.549 1.166 . . . . 25.0 110.54 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.07 179.74 15.88 Favored Glycine 0 C--O 1.211 -1.319 0 N-CA-C 110.581 -1.008 . . . . 25.0 110.581 175.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' CZ ' ' B' ' 16' ' ' TYR . 96.5 mt-10 -69.98 -1.5 9.89 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 121.75 -0.853 . . . . 25.0 111.723 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.63 -10.78 59.72 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 116.066 -0.516 . . . . 25.0 110.185 -176.429 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -171.05 31.65 Favored Glycine 0 C--O 1.253 1.303 0 CA-C-O 117.496 -1.724 . . . . 25.0 109.521 178.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.7 p90 . . . . . 0 N--CA 1.481 1.109 0 CA-C-N 119.633 1.716 . . . . 25.0 107.33 -177.718 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 116.359 1.304 . . . . 25.0 116.359 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.1 mm -53.88 -43.05 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 -176.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.8 -46.57 79.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.946 -1.096 . . . . 25.0 111.316 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.75 -42.67 90.66 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 122.174 -0.329 . . . . 25.0 111.3 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -75.6 -38.77 58.78 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.92 -51.24 3.2 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.614 1.197 . . . . 25.0 113.958 -175.097 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.02 -18.48 53.49 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 118.467 2.765 . . . . 25.0 118.467 -171.584 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -63.72 -17.58 63.14 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.925 -1.109 . . . . 25.0 112.224 -179.019 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 t -145.91 -169.32 3.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 104.802 -2.296 . . . . 25.0 104.802 178.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.33 115.52 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 106.328 -1.73 . . . . 25.0 106.328 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -92.88 148.2 22.21 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-N 113.097 -1.865 . . . . 25.0 108.773 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -122.14 156.2 34.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 124.26 1.981 . . . . 25.0 112.377 -171.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.78 -31.05 71.94 Favored 'General case' 1 C--O 1.332 5.42 0 CA-C-N 114.307 -1.315 . . . . 25.0 108.091 -178.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.22 -50.08 74.0 Favored 'General case' 0 CA--C 1.481 -1.676 0 O-C-N 120.043 -1.661 . . . . 25.0 112.535 173.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -66.48 -35.75 81.03 Favored 'General case' 0 C--O 1.194 -1.853 0 CA-C-N 113.271 -1.786 . . . . 25.0 111.074 -179.062 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -58.23 -34.14 70.12 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.766 0.666 . . . . 25.0 111.803 177.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.61 -33.68 55.81 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 175.064 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -69.81 -7.23 38.11 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 121.944 -0.473 . . . . 25.0 111.911 -177.014 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -104.75 10.56 34.59 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 121.467 0.651 . . . . 25.0 110.016 -178.032 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -129.37 170.88 13.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 105.47 -2.048 . . . . 25.0 105.47 178.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 . . . . . 0 C--O 1.205 -1.249 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 173.827 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 116.002 1.852 . . . . 25.0 116.002 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.02 136.54 55.29 Favored 'Isoleucine or valine' 0 C--O 1.264 1.836 0 CA-C-N 113.383 -1.735 . . . . 25.0 107.415 175.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -93.6 104.47 16.58 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.78 -158.22 0.84 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 -178.475 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -83.31 76.08 9.92 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 107.124 -1.435 . . . . 25.0 107.124 179.11 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.19 106.81 1.76 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.471 -0.786 . . . . 25.0 109.184 -177.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.257 1.474 0 CA-C-O 122.97 1.367 . . . . 25.0 110.242 176.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.039 0.447 . . . . 25.0 111.061 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -62.08 -30.88 71.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.763 -1.113 . . . . 25.0 113.853 176.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.94 -42.19 85.72 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 123.794 0.684 . . . . 25.0 110.213 177.119 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -64.94 -42.3 94.43 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 C-N-CA 123.146 0.578 . . . . 25.0 109.583 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -69.58 -39.23 77.46 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 124.444 1.09 . . . . 25.0 110.526 -179.253 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.03 -35.25 79.48 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 118.341 -1.344 . . . . 25.0 109.682 176.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -42.17 98.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 122.115 -0.366 . . . . 25.0 111.15 174.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.18 -41.04 92.05 Favored 'General case' 0 N--CA 1.416 -2.17 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 175.366 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.28 -38.98 91.93 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 115.064 -0.971 . . . . 25.0 113.207 177.199 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.45 -45.58 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 118.684 0.675 . . . . 25.0 111.351 176.633 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -16.51 45.5 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -171.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.86 -173.48 43.37 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 110.369 -1.092 . . . . 25.0 110.369 176.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.86 -4.52 13.01 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 113.98 1.104 . . . . 25.0 113.98 -179.196 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -65.2 -27.39 68.65 Favored 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.86 -176.84 10.77 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 120.47 -0.871 . . . . 25.0 113.754 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 p90 . . . . . 0 C--N 1.315 -0.931 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 179.193 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -1.238 0 CA-C-O 123.866 1.814 . . . . 25.0 112.108 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.13 -37.74 80.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.72 -33.78 63.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 121.501 -0.75 . . . . 25.0 109.805 177.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -65.5 -43.45 90.12 Favored 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 118.244 -1.383 . . . . 25.0 109.405 175.109 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.46 -42.45 96.2 Favored 'General case' 0 C--O 1.182 -2.453 0 CA-C-O 117.653 -1.165 . . . . 25.0 109.037 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.59 -27.43 63.13 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.731 1.151 . . . . 25.0 110.888 -177.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.03 -44.89 79.09 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 121.539 -0.726 . . . . 25.0 110.91 176.27 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -91.02 -24.57 20.03 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-O 118.409 -0.805 . . . . 25.0 112.773 -175.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -133.34 164.3 27.42 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.231 0.957 . . . . 25.0 112.929 -177.39 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.423 HG21 HD22 ' B' ' 3' ' ' ASN . 27.0 mm -64.51 136.55 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 120.348 -0.541 . . . . 25.0 111.939 -178.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -136.14 157.46 46.78 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 122.158 0.98 . . . . 25.0 111.061 173.529 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.7 p -94.42 169.62 10.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 116.906 2.187 . . . . 25.0 116.906 -168.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.35 -34.17 72.04 Favored 'General case' 1 C--O 1.35 6.357 0 O-C-N 119.254 -2.154 . . . . 25.0 111.403 168.389 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.89 -40.17 94.68 Favored 'General case' 0 C--O 1.198 -1.611 0 O-C-N 119.234 -2.167 . . . . 25.0 111.108 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -71.34 -42.02 69.06 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 114.704 -1.134 . . . . 25.0 109.592 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.76 -38.98 67.87 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.83 177.333 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.77 -26.73 65.95 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -176.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.98 -15.57 60.13 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 118.807 -0.616 . . . . 25.0 110.701 -173.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -70.25 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.222 0.919 . . . . 25.0 109.679 171.294 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.8 m -89.18 142.7 27.42 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 177.03 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 C--O 1.197 -1.693 0 CA-C-O 125.812 2.72 . . . . 25.0 112.575 -178.542 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 C--O 1.194 -1.837 0 CA-C-O 124.901 2.286 . . . . 25.0 114.944 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.23 136.6 26.2 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 CA-C-N 113.133 -1.849 . . . . 25.0 108.52 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.423 HD22 HG21 ' A' ' 10' ' ' ILE . 14.7 m120 -76.65 68.63 2.94 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 122.441 1.115 . . . . 25.0 113.552 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -126.76 7.64 6.81 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.75 -1.114 . . . . 25.0 110.431 -176.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 p80 35.69 64.35 0.49 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 177.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.95 138.49 50.07 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 103.226 -2.879 . . . . 25.0 103.226 177.116 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t . . . . . 0 C--O 1.254 1.307 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 179.909 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--O 1.21 -1.013 0 CA-C-O 120.632 0.253 . . . . 25.0 110.532 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -71.15 -31.5 67.78 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.486 -2.009 . . . . 25.0 111.969 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.75 -35.64 72.75 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 178.194 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.73 -40.41 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.67 -37.71 85.31 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 121.314 0.578 . . . . 25.0 112.414 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.99 96.6 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 178.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 tp -61.13 -39.7 91.0 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.743 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.55 -42.21 98.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.456 0.646 . . . . 25.0 110.768 178.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.2 -43.32 99.06 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 122.69 1.233 . . . . 25.0 114.102 179.139 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 m -79.14 -26.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 O-C-N 120.907 -1.121 . . . . 25.0 113.073 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 -25.64 30.31 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 114.18 1.178 . . . . 25.0 114.18 176.697 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.71 169.56 34.01 Favored Glycine 0 CA--C 1.499 -0.937 0 N-CA-C 107.54 -2.224 . . . . 25.0 107.54 -177.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -63.38 -2.77 1.63 Allowed 'General case' 0 CA--C 1.572 1.826 0 CA-C-N 113.878 -1.161 . . . . 25.0 113.373 -177.411 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -23.53 61.04 Favored 'General case' 0 C--O 1.196 -1.737 0 O-C-N 123.945 0.778 . . . . 25.0 110.84 177.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.37 -170.88 41.35 Favored Glycine 0 C--O 1.181 -3.188 0 N-CA-C 109.594 -1.403 . . . . 25.0 109.594 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 116.519 2.044 . . . . 25.0 116.519 -168.958 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.809 0 CA-C-O 124.165 1.981 . . . . 25.0 108.985 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.439 HG12 ' CD1' ' A' ' 19' ' ' TYR . 40.2 mt -51.99 -55.3 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 111.808 -2.196 . . . . 25.0 112.913 -175.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 m -73.53 -25.92 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 O-C-N 120.157 -1.589 . . . . 25.0 111.6 -176.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -69.41 -40.33 77.36 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.529 -0.732 . . . . 25.0 109.428 -177.144 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -74.34 -50.58 18.12 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 114.332 -1.304 . . . . 25.0 111.934 178.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.1 m -81.49 -16.7 51.06 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 115.288 1.588 . . . . 25.0 115.288 -172.264 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.98 -12.56 60.04 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 120.697 -1.252 . . . . 25.0 111.98 179.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 t -118.18 -7.88 10.72 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.714 1.245 . . . . 25.0 111.48 -178.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -128.95 176.53 7.8 Favored 'General case' 0 CA--C 1.484 -1.567 0 N-CA-C 104.785 -2.302 . . . . 25.0 104.785 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.29 109.92 30.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.7 m -93.72 107.64 19.49 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.142 -1.058 . . . . 25.0 108.142 -179.128 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -60.78 154.42 21.87 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.196 -0.911 . . . . 25.0 110.882 169.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' ' N ' ' B' ' 1' ' ' PHE . 8.5 mp -58.05 -31.25 66.86 Favored 'General case' 0 C--O 1.301 3.765 0 O-C-N 121.435 -0.79 . . . . 25.0 109.571 -177.729 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -55.73 -37.97 69.14 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 117.75 -3.094 . . . . 25.0 113.383 174.355 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -80.74 -38.85 27.96 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 113.673 -1.603 . . . . 25.0 109.333 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.78 -26.4 65.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 124.268 0.98 . . . . 25.0 110.303 177.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.92 -25.72 57.91 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.387 -0.821 . . . . 25.0 111.138 174.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -64.2 -22.8 67.08 Favored 'General case' 0 C--O 1.191 -2.025 0 CA-C-N 118.933 0.788 . . . . 25.0 112.58 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CD1' HG12 ' A' ' 2' ' ' ILE . 46.0 m-85 -89.44 -8.38 53.11 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 121.348 -0.845 . . . . 25.0 111.236 -179.356 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.5 m -98.83 -13.64 20.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.661 -1.154 . . . . 25.0 110.265 174.212 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.209 -1.05 0 CA-C-O 124.471 2.081 . . . . 25.0 112.233 -175.076 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.522 ' N ' ' H ' ' A' ' 13' ' ' LEU . 5.3 m-85 . . . . . 0 C--O 1.184 -2.361 0 CA-C-O 123.098 1.428 . . . . 25.0 113.573 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.43 131.5 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.122 0 N-CA-C 107.72 -1.215 . . . . 25.0 107.72 -177.259 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -148.4 -152.71 0.45 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 107.129 -1.434 . . . . 25.0 107.129 179.14 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -91.95 -179.35 5.27 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 118.693 0.679 . . . . 25.0 110.318 169.347 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -63.57 -50.55 69.04 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.267 1.21 . . . . 25.0 114.267 -176.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.7 mt 63.27 -174.81 0.15 Allowed 'General case' 0 C--O 1.198 -1.618 0 O-C-N 124.989 1.431 . . . . 25.0 108.852 -171.297 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.474 -1.95 0 O-C-N 121.07 -1.018 . . . . 25.0 109.905 -174.147 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -57.26 -31.21 65.34 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 175.011 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -75.75 -44.07 43.54 Favored 'General case' 0 C--O 1.247 0.957 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 -175.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.5 -37.26 77.4 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 176.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.7 -39.58 84.39 Favored 'General case' 0 C--O 1.184 -2.383 0 O-C-N 120.456 -1.403 . . . . 25.0 110.248 177.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.79 92.51 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 177.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 tp -66.45 -39.47 88.89 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.334 -0.841 . . . . 25.0 110.372 -178.588 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.045 0.938 . . . . 25.0 111.894 173.008 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.63 -40.6 95.45 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 179.157 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -81.51 -29.24 10.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.973 0 C-N-CA 118.61 -1.236 . . . . 25.0 112.029 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.7 -33.2 31.29 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 119.077 0.853 . . . . 25.0 112.994 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.62 -171.28 52.68 Favored Glycine 0 C--O 1.204 -1.763 0 N-CA-C 111.16 -0.776 . . . . 25.0 111.16 -169.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.93 -1.59 2.11 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.27 1.582 . . . . 25.0 115.27 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -12.24 60.21 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 -175.636 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 172.08 45.1 Favored Glycine 0 C--N 1.293 -1.837 0 N-CA-C 108.679 -1.768 . . . . 25.0 108.679 172.462 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 118.946 -0.549 . . . . 25.0 110.444 -172.186 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.904 0 CA-C-O 123.563 1.646 . . . . 25.0 115.882 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.88 -32.93 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 119.387 -2.243 . . . . 25.0 108.492 178.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.1 -31.93 52.15 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.216 0 O-C-N 121.262 -0.899 . . . . 25.0 111.049 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.33 -36.55 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.643 -0.66 . . . . 25.0 110.245 176.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -61.12 -39.48 90.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.451 170.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -34.91 76.98 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.93 -1.106 . . . . 25.0 110.495 179.647 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -70.16 -41.67 73.52 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.39 -0.818 . . . . 25.0 111.862 179.614 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.61 -14.07 61.53 Favored 'General case' 0 C--N 1.308 -1.199 0 O-C-N 123.686 0.616 . . . . 25.0 111.852 179.451 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -118.83 -141.58 0.36 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 102.416 -3.179 . . . . 25.0 102.416 179.692 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -125.37 124.81 67.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 103.515 -2.772 . . . . 25.0 103.515 175.164 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' HB2' HD21 ' B' ' 3' ' ' ASN . 22.5 m -72.35 166.88 21.62 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.025 0.917 . . . . 25.0 111.85 -173.71 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -133.34 155.6 49.15 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.855 -1.153 . . . . 25.0 108.169 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.48 -36.83 85.04 Favored 'General case' 1 C--O 1.325 5.054 0 O-C-N 119.006 -2.309 . . . . 25.0 111.126 -177.403 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.93 -40.25 97.05 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 117.941 -2.974 . . . . 25.0 113.11 -179.565 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -64.43 -44.82 90.0 Favored 'General case' 0 C--N 1.377 1.786 0 CA-C-N 115.194 -0.912 . . . . 25.0 109.98 174.013 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 3.4 mp -55.95 -36.41 67.75 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 114.731 1.382 . . . . 25.0 114.731 -179.024 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.78 -27.95 53.62 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.293 1.22 . . . . 25.0 114.293 172.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -75.76 -14.39 60.32 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 123.117 1.437 . . . . 25.0 110.921 -176.107 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 11.2 m-85 -89.23 -1.76 58.21 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.281 -0.887 . . . . 25.0 109.32 178.469 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.15 2.3 12.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.438 -0.801 . . . . 25.0 111.019 176.421 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 . . . . . 0 CA--C 1.559 1.316 0 CA-C-O 125.418 2.532 . . . . 25.0 111.481 -169.12 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 125.822 2.725 . . . . 25.0 113.251 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 69.8 t -104.83 125.2 59.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 119.436 -2.04 . . . . 25.0 107.251 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.436 HD21 ' HB2' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -126.66 129.19 47.98 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.408 0.623 . . . . 25.0 111.111 -176.718 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -127.67 -146.64 0.33 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.755 176.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.14 79.61 7.76 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.38 124.32 23.19 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 -178.194 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.677 1 N-CA-C 99.32 -4.326 . . . . 25.0 99.32 178.33 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 122.259 1.028 . . . . 25.0 110.662 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -60.67 -39.02 86.88 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 120.451 -1.406 . . . . 25.0 112.572 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.82 -35.9 77.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.824 -0.751 . . . . 25.0 111.461 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.86 -43.94 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.272 1.034 . . . . 25.0 111.808 177.539 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.11 -47.8 82.98 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 177.44 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.16 86.72 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.891 0.769 . . . . 25.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.28 -41.8 85.16 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 119.902 -0.719 . . . . 25.0 111.695 175.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.67 -47.99 78.61 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 118.263 -0.875 . . . . 25.0 112.436 172.43 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.1 -39.35 86.72 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 124.011 0.82 . . . . 25.0 111.358 -177.438 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -85.88 -31.08 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 N-CA-C 114.321 1.23 . . . . 25.0 114.321 -176.585 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -104.66 -31.29 9.45 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 121.312 -0.867 . . . . 25.0 112.753 -179.148 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.81 -178.98 35.28 Favored Glycine 0 CA--C 1.555 2.584 0 N-CA-C 108.464 -1.855 . . . . 25.0 108.464 -168.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.79 8.98 1.25 Allowed 'General case' 0 CA--C 1.57 1.74 0 CA-C-N 118.331 1.065 . . . . 25.0 111.906 176.122 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -24.43 46.07 Favored 'General case' 0 C--O 1.194 -1.852 0 O-C-N 121.461 -0.775 . . . . 25.0 110.221 174.12 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.14 -122.76 4.93 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-O 123.551 1.64 . . . . 25.0 109.675 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.539 0.533 0 O-C-N 120.242 -1.74 . . . . 25.0 114.257 -170.611 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.394 0 CA-C-O 125.513 2.73 . . . . 25.0 117.277 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.47 -38.5 81.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 119.295 -2.297 . . . . 25.0 111.298 -176.428 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -73.49 -40.52 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 -175.036 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.147 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -62.93 -41.48 99.49 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 118.409 0.549 . . . . 25.0 109.819 178.524 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -29.88 70.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 120.547 -1.345 . . . . 25.0 112.134 178.827 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -72.42 -57.72 3.96 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -74.39 -24.36 59.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.456 -1.402 . . . . 25.0 111.895 -170.042 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -132.78 -133.56 0.18 Allowed 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 117.889 -1.053 . . . . 25.0 111.965 -176.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.7 mm -110.79 -55.49 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 123.876 0.735 . . . . 25.0 111.626 -174.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 55.61 179.5 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 122.979 1.371 . . . . 25.0 111.799 -174.59 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -136.47 151.56 49.59 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.655 -1.903 . . . . 25.0 115.535 -176.25 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.04 -32.67 72.29 Favored 'General case' 1 C--O 1.358 6.8 0 CA-C-O 122.737 1.255 . . . . 25.0 110.76 176.353 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.33 -33.54 59.15 Favored 'General case' 0 C--O 1.205 -1.272 1 O-C-N 115.514 -4.491 . . . . 25.0 115.204 170.603 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.52 -41.36 32.5 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 119.929 -1.732 . . . . 25.0 106.757 177.429 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.29 -20.79 45.56 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 124.693 1.245 . . . . 25.0 111.078 -179.148 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.83 -27.47 42.29 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 119.638 1.108 . . . . 25.0 111.95 174.096 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -61.38 -25.07 66.93 Favored 'General case' 0 C--O 1.204 -1.309 0 O-C-N 121.51 -0.744 . . . . 25.0 112.386 -179.532 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -84.88 1.82 45.4 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.489 0.922 . . . . 25.0 113.489 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.57 178.36 7.16 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 121.243 -0.911 . . . . 25.0 111.733 -175.377 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 124.631 2.158 . . . . 25.0 112.783 171.334 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 118.224 2.675 . . . . 25.0 118.224 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.16 120.03 23.98 Favored 'Isoleucine or valine' 0 C--O 1.26 1.63 0 N-CA-C 103.646 -2.724 . . . . 25.0 103.646 168.388 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -128.9 162.95 26.35 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 111.955 0.354 . . . . 25.0 111.955 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -131.59 -174.07 3.3 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 104.885 -2.265 . . . . 25.0 104.885 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -58.62 131.85 52.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.968 0.804 . . . . 25.0 112.653 177.185 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -126.0 125.0 41.95 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.863 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.206 -1.214 0 CA-C-O 122.372 1.082 . . . . 25.0 112.381 -177.981 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -66.6 -26.35 67.05 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.71 1.004 . . . . 25.0 113.71 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.67 -45.67 82.03 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -63.78 -46.27 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.097 0.873 . . . . 25.0 110.104 177.869 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.85 -39.95 72.19 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.435 -1.269 . . . . 25.0 109.619 176.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.65 77.21 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 119.298 0.954 . . . . 25.0 111.572 -177.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -45.95 86.81 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 115.777 -0.647 . . . . 25.0 110.146 176.5 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -62.47 -41.08 98.52 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.115 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.0 -41.71 90.7 Favored 'General case' 0 C--O 1.199 -1.559 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -80.25 -30.71 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 C-N-CA 118.538 -1.265 . . . . 25.0 112.684 -174.707 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -82.89 -38.59 22.7 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 118.721 -0.657 . . . . 25.0 110.79 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.1 174.77 14.2 Favored Glycine 0 CA--C 1.489 -1.552 0 CA-C-O 117.4 -1.778 . . . . 25.0 113.199 179.394 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.26 -14.59 63.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.636 1.718 . . . . 25.0 111.877 -176.658 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -15.99 63.37 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 113.57 -1.65 . . . . 25.0 113.031 -179.667 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.02 -167.78 54.7 Favored Glycine 0 C--O 1.193 -2.464 0 CA-C-O 122.185 0.88 . . . . 25.0 113.537 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.216 -0.661 0 CA-C-O 122.257 1.027 . . . . 25.0 108.363 -174.388 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.179 -3.29 0 N-CA-C 119.48 2.552 . . . . 25.0 119.48 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -56.66 -47.35 82.47 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.825 0 O-C-N 120.071 -1.841 . . . . 25.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.07 -35.08 70.31 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 119.919 -1.738 . . . . 25.0 109.373 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.29 -45.06 67.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -178.497 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -69.88 -36.61 75.59 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 117.936 -1.031 . . . . 25.0 111.1 -175.033 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.22 -13.01 11.78 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 117.983 2.586 . . . . 25.0 117.983 -171.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.38 -17.9 60.09 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.08 -1.013 . . . . 25.0 111.265 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 t -73.6 -5.44 40.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.367 1.467 . . . . 25.0 112.717 -175.83 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -149.75 -179.96 7.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.926 1.29 . . . . 25.0 110.447 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -77.3 99.87 2.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 175.005 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -75.86 113.91 13.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.067 -178.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -79.12 157.61 27.91 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.856 -1.164 . . . . 25.0 107.856 -169.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.444 HD13 ' H ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.45 -36.7 69.34 Favored 'General case' 0 C--O 1.301 3.776 0 C-N-CA 119.537 -0.865 . . . . 25.0 109.454 171.241 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' H ' HD13 ' A' ' 13' ' ' LEU . 19.0 t80 -64.81 -37.51 87.86 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 119.008 -2.307 . . . . 25.0 112.427 -178.04 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -72.28 -43.55 64.09 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 114.297 -1.319 . . . . 25.0 109.58 177.501 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.47 -30.12 70.4 Favored 'General case' 0 C--O 1.182 -2.471 0 O-C-N 121.292 -0.88 . . . . 25.0 112.207 178.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -61.92 -22.72 65.84 Favored 'General case' 0 C--O 1.184 -2.344 0 N-CA-C 113.178 0.807 . . . . 25.0 113.178 174.524 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -78.86 -3.41 44.52 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 119.127 -2.233 . . . . 25.0 113.728 178.01 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -102.35 -9.78 20.04 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.641 1.21 . . . . 25.0 109.561 175.752 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.1 t -83.54 146.76 28.16 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 114.811 -1.086 . . . . 25.0 109.714 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--O 1.209 -1.068 0 CA-C-O 125.437 2.541 . . . . 25.0 110.467 -178.888 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 123.154 1.454 . . . . 25.0 114.545 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.7 t -78.42 88.4 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 O-C-N 119.688 -1.882 . . . . 25.0 112.469 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -77.01 18.62 0.35 Allowed 'General case' 0 C--O 1.19 -2.051 0 CA-C-N 114.751 -1.113 . . . . 25.0 113.178 174.69 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -111.85 -4.92 14.45 Favored 'General case' 0 N--CA 1.412 -2.327 0 C-N-CA 122.643 0.377 . . . . 25.0 111.43 178.284 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.96 17.03 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 121.46 3.874 . . . . 25.0 121.46 174.859 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.65 147.36 22.76 Favored 'General case' 0 C--O 1.259 1.568 0 CA-C-O 123.241 1.496 . . . . 25.0 111.566 174.545 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 CA--C 1.556 1.177 0 CA-C-N 113.298 -1.774 . . . . 25.0 113.436 -174.7 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -68.86 -35.34 76.8 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 115.878 1.807 . . . . 25.0 115.878 -175.138 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.85 -38.36 90.73 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 118.035 0.38 . . . . 25.0 111.184 173.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 t -66.26 -41.61 89.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 176.635 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -67.43 -36.77 81.87 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.21 -0.996 . . . . 25.0 111.209 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.85 80.74 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.57 -44.73 85.53 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.701 -0.681 . . . . 25.0 111.42 175.383 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -61.96 -42.53 99.22 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.435 -0.793 . . . . 25.0 110.524 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.33 -44.57 96.96 Favored 'General case' 0 N--CA 1.514 2.727 0 CA-C-N 119.199 0.909 . . . . 25.0 112.894 178.462 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.29 -27.63 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.974 0 O-C-N 123.694 0.621 . . . . 25.0 111.412 -178.687 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 -28.7 24.93 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-O 123.413 1.578 . . . . 25.0 109.602 -177.576 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.52 -174.08 20.79 Favored Glycine 0 C--O 1.247 0.915 0 N-CA-C 105.483 -3.047 . . . . 25.0 105.483 174.242 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.64 -10.54 59.92 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -72.32 -25.06 61.42 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.239 0.543 . . . . 25.0 109.708 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.39 -175.89 32.21 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 122.966 1.314 . . . . 25.0 113.327 172.396 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--N 1.323 -0.557 0 O-C-N 121.388 -1.066 . . . . 25.0 109.115 -175.335 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.967 0 CA-C-O 125.822 2.901 . . . . 25.0 112.405 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.82 -35.84 70.21 Favored 'Isoleucine or valine' 0 C--O 1.167 -3.257 0 CA-C-N 109.665 -3.268 . . . . 25.0 109.426 -177.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.68 -34.86 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 O-C-N 120.414 -1.429 . . . . 25.0 113.765 173.59 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.1 -35.97 74.52 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.537 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.75 -42.94 99.91 Favored 'General case' 0 C--O 1.199 -1.574 0 CA-C-N 114.028 -1.442 . . . . 25.0 110.072 175.747 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.7 m -68.35 -21.17 64.74 Favored 'General case' 0 C--O 1.197 -1.662 0 CA-C-N 115.232 -0.895 . . . . 25.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.07 -42.08 16.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 175.226 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -86.5 -16.53 36.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.201 -1.562 . . . . 25.0 115.212 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -128.71 -176.37 3.82 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 -174.003 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.23 132.39 31.67 Favored 'Isoleucine or valine' 0 C--O 1.251 1.149 0 CA-C-O 121.702 0.763 . . . . 25.0 109.555 178.209 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -100.83 162.92 12.57 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.041 -175.635 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -130.77 159.72 36.48 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 123.473 1.606 . . . . 25.0 112.817 177.192 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.56 -37.0 77.31 Favored 'General case' 1 C--O 1.319 4.747 0 O-C-N 119.455 -2.028 . . . . 25.0 110.576 177.627 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -63.34 -38.98 93.25 Favored 'General case' 0 C--O 1.201 -1.495 0 O-C-N 117.225 -3.422 . . . . 25.0 111.9 177.518 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.09 -40.89 95.26 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.733 0.778 . . . . 25.0 109.868 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.67 -38.81 75.77 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 113.64 -1.618 . . . . 25.0 112.404 -175.862 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.98 -25.43 63.59 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 116.006 1.854 . . . . 25.0 116.006 -178.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -71.29 -11.48 60.94 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -179.674 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -96.21 12.08 32.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 120.147 -0.621 . . . . 25.0 110.074 174.033 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -126.62 177.82 6.28 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 . . . . . 0 CA--C 1.573 1.845 0 CA-C-O 126.908 3.242 . . . . 25.0 111.525 173.311 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 121.545 0.688 . . . . 25.0 111.996 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -85.14 132.82 30.8 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 -175.836 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -79.81 125.45 29.71 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.86 -0.792 . . . . 25.0 108.86 177.587 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -150.8 -162.95 1.66 Allowed 'General case' 0 C--O 1.249 1.077 0 C-N-CA 119.908 -0.717 . . . . 25.0 111.398 -175.463 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -72.3 150.05 43.9 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.551 0.532 . . . . 25.0 110.135 175.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -133.73 90.8 2.75 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 118.47 0.577 . . . . 25.0 110.194 171.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.24 0.573 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 175.617 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.88 -1.057 . . . . 25.0 110.319 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -64.1 -34.53 78.26 Favored 'General case' 0 CA--C 1.561 1.377 0 CA-C-N 119.891 1.223 . . . . 25.0 111.547 -178.453 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.4 -39.63 81.61 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-O 121.907 0.86 . . . . 25.0 109.733 177.12 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.07 -44.68 99.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.417 -0.802 . . . . 25.0 109.541 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.36 -42.19 98.87 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.361 0.601 . . . . 25.0 111.273 178.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.52 84.61 Favored 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 177.265 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.55 -44.61 95.93 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 176.104 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.8 -41.35 97.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 118.831 -0.604 . . . . 25.0 110.643 179.825 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.94 -44.74 84.18 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 120.336 -0.546 . . . . 25.0 109.753 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -81.29 -25.28 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.01 0 N-CA-C 116.645 2.091 . . . . 25.0 116.645 -175.749 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.59 -5.82 8.12 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 119.056 -1.058 . . . . 25.0 113.667 -171.098 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.21 -166.11 13.31 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.958 -0.639 . . . . 25.0 113.136 172.418 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.52 79.31 0.27 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -175.691 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.421 ' HA ' ' CZ ' ' B' ' 24' ' ' PHE . 0.0 OUTLIER 51.78 30.72 7.23 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 169.331 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.66 9.56 64.81 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 120.495 -0.859 . . . . 25.0 113.498 -179.17 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' B' ' 22' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.206 -1.227 0 CA-C-N 117.499 0.649 . . . . 25.0 112.043 -173.794 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 CA-C-O 123.634 1.686 . . . . 25.0 112.23 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.16 -48.24 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.636 1.974 . . . . 25.0 112.052 -174.325 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 m -72.13 -32.67 44.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 120.44 -0.504 . . . . 25.0 110.415 177.869 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.5 -38.31 90.59 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 123.797 0.686 . . . . 25.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -80.61 -38.87 28.5 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 124.735 1.272 . . . . 25.0 112.318 -177.108 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.73 -22.94 3.79 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 119.337 3.088 . . . . 25.0 119.337 -170.635 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.59 -32.5 62.38 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.393 -1.442 . . . . 25.0 108.515 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -88.25 147.18 24.95 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 173.277 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t 56.92 -157.32 0.28 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 117.054 -1.45 . . . . 25.0 112.165 -171.396 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -100.46 122.96 53.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 -174.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.87 129.03 34.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 177.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -91.15 152.45 20.57 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 121.855 -0.528 . . . . 25.0 110.913 176.054 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.704 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.86 -29.79 70.3 Favored 'General case' 1 C--O 1.321 4.837 0 CA-C-O 123.075 1.417 . . . . 25.0 112.543 178.219 . . . . . . . . 4 4 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -58.47 -41.27 84.87 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 116.691 -3.756 . . . . 25.0 114.595 165.556 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.08 -43.14 65.32 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 118.365 -2.709 . . . . 25.0 107.942 -175.444 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.47 -39.03 82.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.335 -0.848 . . . . 25.0 111.936 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.47 -19.92 65.15 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 117.967 -1.493 . . . . 25.0 112.498 -177.08 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -68.62 -20.11 64.47 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -176.198 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.97 9.93 23.31 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 -178.393 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.5 m -74.93 -12.17 60.29 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 119.032 0.833 . . . . 25.0 109.802 173.873 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--O 1.207 -1.134 0 CA-C-O 124.553 2.121 . . . . 25.0 108.706 164.462 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.2 t80 . . . . . 0 CA--C 1.484 -1.582 0 CA-C-O 124.706 2.193 . . . . 25.0 109.315 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t -96.55 120.51 45.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 O-C-N 119.86 -1.775 . . . . 25.0 109.24 -176.904 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -79.97 96.76 6.51 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 116.183 -0.462 . . . . 25.0 109.991 176.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -148.27 173.61 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 -179.607 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.44 72.25 10.25 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 122.519 1.152 . . . . 25.0 108.046 176.006 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -78.9 91.75 4.82 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 122.972 1.367 . . . . 25.0 109.073 -174.445 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.55 0.951 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.258 -179.871 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.56 1.356 0 CA-C-O 121.666 0.746 . . . . 25.0 111.32 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.77 -18.33 64.83 Favored 'General case' 0 CA--C 1.567 1.613 0 O-C-N 121.572 -0.705 . . . . 25.0 112.29 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.2 -39.82 68.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 175.087 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.74 -40.18 78.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 114.71 -1.132 . . . . 25.0 108.038 -177.249 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -58.95 -46.24 88.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.969 -1.014 . . . . 25.0 109.41 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.81 85.98 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 124.345 1.028 . . . . 25.0 110.404 -176.443 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -38.1 87.68 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.962 0.905 . . . . 25.0 109.465 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -66.28 -43.93 84.99 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.615 0.572 . . . . 25.0 111.213 173.176 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.67 -41.19 98.21 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 120.346 -0.542 . . . . 25.0 112.454 -179.452 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.6 -31.19 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -178.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -18.08 58.16 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 175.171 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.78 174.78 36.7 Favored Glycine 0 C--O 1.194 -2.398 0 CA-C-N 114.786 -1.097 . . . . 25.0 113.16 177.479 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.88 -13.4 59.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 118.946 1.373 . . . . 25.0 110.722 174.61 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -68.6 -28.34 66.84 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.491 178.15 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.26 178.53 50.75 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-O 122.492 1.051 . . . . 25.0 115.088 172.41 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.425 -1.724 0 N-CA-C 105.99 -1.856 . . . . 25.0 105.99 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.525 0 N-CA-C 117.59 1.796 . . . . 25.0 117.59 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp -59.67 -43.58 91.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 113.696 -1.252 . . . . 25.0 109.832 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 67.3 t -59.62 -48.61 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.773 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.11 -43.69 94.53 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 123.116 0.567 . . . . 25.0 111.575 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -67.44 -41.12 85.25 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 119.454 -0.899 . . . . 25.0 110.131 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -81.0 -8.98 59.89 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.663 -1.273 . . . . 25.0 112.134 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 t -72.05 -36.99 69.75 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 170.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 t -102.76 -0.14 31.98 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 115.176 1.547 . . . . 25.0 115.176 -174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -146.71 157.76 43.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.885 -0.598 . . . . 25.0 110.103 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.89 137.92 22.66 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.0 m -133.87 89.67 2.61 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-O 122.037 0.922 . . . . 25.0 111.097 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.0 p -69.35 163.0 26.13 Favored 'General case' 0 CA--C 1.493 -1.247 0 CA-C-N 114.806 -1.088 . . . . 25.0 109.54 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.56 -28.46 20.97 Favored 'General case' 1 C--O 1.312 4.358 0 O-C-N 119.068 -2.27 . . . . 25.0 113.384 170.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -64.34 -42.69 96.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.692 -1.88 . . . . 25.0 111.663 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -72.41 -41.49 66.18 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 113.865 -1.516 . . . . 25.0 112.731 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.76 -27.84 66.87 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 113.909 1.078 . . . . 25.0 113.909 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.45 -29.49 64.25 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 113.917 1.081 . . . . 25.0 113.917 176.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.02 -20.71 65.03 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.974 -1.079 . . . . 25.0 111.295 -175.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -90.04 -7.38 54.03 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 122.267 -0.27 . . . . 25.0 111.249 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.0 m -95.29 11.06 33.9 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 115.455 -0.793 . . . . 25.0 111.427 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t30 . . . . . 0 CA--C 1.564 1.488 0 CA-C-O 124.347 2.022 . . . . 25.0 109.616 -179.07 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 55.5 t80 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.24 139.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 121.351 -0.843 . . . . 25.0 109.832 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -100.98 75.71 1.7 Allowed 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 105.778 -1.934 . . . . 25.0 105.778 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.19 -164.33 1.36 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.746 -1.205 . . . . 25.0 107.746 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -75.69 146.69 39.98 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -127.53 95.01 4.12 Favored 'General case' 0 C--O 1.21 -0.984 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t -93.55 -51.52 4.91 Favored 'General case' 0 CA--C 1.584 2.261 0 N-CA-C 114.17 1.174 . . . . 25.0 114.17 173.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.53 3.561 0 C-N-CA 126.418 1.887 . . . . 25.0 112.792 178.449 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.5 t -55.66 -19.89 12.17 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 125.436 1.494 . . . . 25.0 111.714 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -54.71 -32.07 59.04 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 115.072 -0.967 . . . . 25.0 113.058 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.66 -44.18 87.12 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 119.413 -0.327 . . . . 25.0 110.737 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.2 t -68.92 -40.27 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 122.395 1.093 . . . . 25.0 109.722 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -60.97 -46.83 89.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.98 -1.075 . . . . 25.0 111.763 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.24 -38.91 91.83 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.272 1.034 . . . . 25.0 113.356 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.62 -42.32 95.58 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 118.923 -1.111 . . . . 25.0 109.476 175.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.5 -35.62 79.94 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.835 -1.079 . . . . 25.0 111.054 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -68.42 -39.92 81.41 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 119.325 -0.95 . . . . 25.0 112.865 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.34 -31.97 16.43 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 C-N-CA 119.3 -0.96 . . . . 25.0 112.081 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -29.39 41.62 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.49 -55.24 4.08 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 118.216 -1.324 . . . . 25.0 113.661 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -123.14 42.75 3.12 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.73 1.752 . . . . 25.0 115.73 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 54.06 40.29 31.47 Favored 'General case' 0 C--O 1.189 -2.08 0 N-CA-C 116.031 1.863 . . . . 25.0 116.031 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.26 44.16 3.0 Favored Glycine 0 C--O 1.212 -1.221 0 O-C-N 120.921 -1.112 . . . . 25.0 113.753 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -150.94 166.92 29.17 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.32 171.11 14.87 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 -176.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 t80 107.12 138.0 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 128.485 2.714 . . . . 25.0 113.428 169.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.1 t -150.55 165.88 31.95 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 103.199 -2.889 . . . . 25.0 103.199 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -56.25 120.6 36.25 Favored Pre-proline 0 CA--C 1.584 2.257 0 O-C-N 122.195 -0.316 . . . . 25.0 110.325 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.78 98.58 1.22 Allowed 'Trans proline' 0 CA--C 1.579 2.741 0 C-N-CA 118.37 -0.62 . . . . 25.0 110.899 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.501 2.11 0 CA-C-O 124.412 2.053 . . . . 25.0 115.607 -178.099 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.55 6.273 0 N-CA-C 118.135 2.014 . . . . 25.0 118.135 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.8 mt -53.77 -57.46 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.832 1.653 . . . . 25.0 112.042 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.38 -47.46 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 119.069 -2.269 . . . . 25.0 110.594 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.18 -40.38 89.77 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 118.891 -0.576 . . . . 25.0 112.487 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -71.56 -39.3 70.71 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.674 0.75 . . . . 25.0 112.29 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -80.75 -52.68 7.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.553 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.2 t -72.42 -18.83 61.68 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.523 0.935 . . . . 25.0 113.523 -172.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -74.48 -10.26 59.39 Favored 'General case' 0 C--O 1.246 0.882 0 O-C-N 120.449 -1.407 . . . . 25.0 113.271 -174.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.53 -168.98 3.26 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -70.24 129.58 34.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 105.134 -2.173 . . . . 25.0 105.134 166.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.17 137.33 40.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.009 0.923 . . . . 25.0 109.147 -174.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -113.76 155.81 24.96 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 119.576 1.08 . . . . 25.0 113.591 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.06 -29.95 71.06 Favored 'General case' 1 C--O 1.318 4.709 0 CA-C-O 122.561 1.172 . . . . 25.0 112.46 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 119.5 -2.0 . . . . 25.0 110.389 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -70.35 -41.73 72.77 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 119.71 -1.868 . . . . 25.0 112.54 175.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.259 -1.525 . . . . 25.0 113.511 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -61.54 -22.2 64.94 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 118.502 -0.761 . . . . 25.0 110.463 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.55 -21.58 65.67 Favored 'General case' 0 C--O 1.205 -1.248 0 CA-C-N 120.052 1.296 . . . . 25.0 110.165 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -108.86 14.23 24.36 Favored 'General case' 0 C--O 1.26 1.643 0 O-C-N 123.761 0.663 . . . . 25.0 111.597 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 150.52 42.3 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.026 -0.988 . . . . 25.0 110.555 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.1 p30 . . . . . 0 C--O 1.204 -1.337 0 O-C-N 125.402 1.689 . . . . 25.0 112.793 177.678 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 C--O 1.207 -1.14 0 CA-C-O 120.958 0.409 . . . . 25.0 111.651 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.1 133.75 30.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -76.84 129.25 35.97 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 122.808 1.29 . . . . 25.0 112.145 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.39 173.63 13.8 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -76.77 -16.92 59.33 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.012 -0.995 . . . . 25.0 110.871 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.4 mt 48.48 59.13 4.54 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.018 0.927 . . . . 25.0 112.589 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 m -98.7 167.07 11.01 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.286 0 C-N-CA 127.248 2.219 . . . . 25.0 112.592 179.741 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -53.44 -31.73 46.71 Favored 'General case' 0 C--N 1.373 1.607 0 O-C-N 119.106 -2.246 . . . . 25.0 112.738 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -74.49 -29.04 61.27 Favored 'General case' 0 C--O 1.179 -2.607 0 O-C-N 121.395 -0.816 . . . . 25.0 109.612 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.56 -37.18 79.69 Favored 'General case' 0 C--O 1.194 -1.839 0 O-C-N 121.115 -0.991 . . . . 25.0 108.596 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.69 -43.62 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.341 -1.474 . . . . 25.0 107.29 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -59.61 -42.14 91.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.094 -1.004 . . . . 25.0 111.797 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.14 90.85 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.303 0.641 . . . . 25.0 110.025 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.59 -42.34 96.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.028 0.442 . . . . 25.0 110.855 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -62.43 -42.3 99.34 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.399 -0.813 . . . . 25.0 111.078 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.32 -42.83 83.0 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.587 -0.845 . . . . 25.0 110.141 -177.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -76.03 -29.62 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-O 118.042 -0.98 . . . . 25.0 112.198 -174.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -28.2 36.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 122.651 1.215 . . . . 25.0 109.002 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.66 -169.14 48.56 Favored Glycine 0 N--CA 1.439 -1.126 0 N-CA-C 108.881 -1.688 . . . . 25.0 108.881 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.29 -8.13 16.53 Favored 'General case' 0 C--O 1.259 1.583 0 O-C-N 121.626 -0.926 . . . . 25.0 113.219 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -56.56 -36.34 69.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.654 1.221 . . . . 25.0 108.132 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.82 168.16 33.97 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-O 123.443 1.579 . . . . 25.0 113.275 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -128.92 1.87 5.34 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -76.31 142.32 41.33 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 122.484 1.135 . . . . 25.0 110.846 -159.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -72.12 -31.11 65.72 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.79 111.48 8.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.339 -0.846 . . . . 25.0 109.11 175.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -81.57 141.55 48.79 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 115.661 -0.699 . . . . 25.0 111.015 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -79.39 75.74 4.9 Favored 'Trans proline' 0 C--N 1.375 1.924 0 CA-C-O 123.704 1.46 . . . . 25.0 113.537 -172.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.414 -2.241 0 CA-C-O 126.362 2.982 . . . . 25.0 111.004 174.349 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.313 0 CA-C-O 124.153 1.974 . . . . 25.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.0 mt -52.54 -62.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.576 0 CA-C-N 111.864 -2.168 . . . . 25.0 112.511 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.25 -43.0 97.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 107.767 -1.197 . . . . 25.0 107.767 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.68 -49.15 77.66 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.364 -0.834 . . . . 25.0 111.199 -173.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.13 -42.88 65.52 Favored 'General case' 0 C--O 1.241 0.653 0 O-C-N 119.907 -1.746 . . . . 25.0 107.644 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.29 -20.93 65.91 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.841 0.746 . . . . 25.0 111.893 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -96.16 -43.8 7.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.885 -0.509 . . . . 25.0 110.946 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -69.46 -21.78 63.69 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 122.991 1.377 . . . . 25.0 113.168 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.5 m -128.88 170.96 12.77 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.247 -1.533 . . . . 25.0 107.831 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.4 mm -63.42 134.86 28.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 105.583 -2.006 . . . . 25.0 105.583 171.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -120.25 81.32 1.73 Allowed 'General case' 0 C--O 1.244 0.773 0 CA-C-O 122.693 1.235 . . . . 25.0 111.919 -177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 m -64.86 167.73 7.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.565 1.174 . . . . 25.0 113.83 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.1 mt -58.34 -38.69 77.69 Favored 'General case' 1 C--O 1.335 5.566 0 O-C-N 120.145 -1.597 . . . . 25.0 112.809 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.84 -36.52 72.42 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 118.304 -2.748 . . . . 25.0 113.221 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -76.15 -45.15 34.96 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 119.362 -0.935 . . . . 25.0 108.523 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.45 -36.74 34.76 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.105 1.15 . . . . 25.0 114.105 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -60.34 -30.96 69.87 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.75 -16.15 63.26 Favored 'General case' 0 C--O 1.2 -1.518 0 C-N-CA 119.434 -0.906 . . . . 25.0 113.232 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -96.47 3.93 52.44 Favored 'General case' 0 C--O 1.251 1.134 0 CA-C-O 121.168 0.508 . . . . 25.0 111.104 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -94.41 -153.15 0.37 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.228 1.013 . . . . 25.0 108.659 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 N--CA 1.502 2.127 0 O-C-N 117.758 -3.089 . . . . 25.0 113.583 -179.387 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 115.027 1.492 . . . . 25.0 115.027 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.29 139.98 37.4 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 N-CA-C 106.915 -1.513 . . . . 25.0 106.915 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -78.01 85.99 4.21 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 124.432 1.082 . . . . 25.0 109.524 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -154.57 -175.34 5.36 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -71.35 146.49 48.77 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 120.91 -1.119 . . . . 25.0 108.607 175.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.66 111.03 15.72 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 124.557 1.161 . . . . 25.0 109.159 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.25 160.72 32.08 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 121.018 0.437 . . . . 25.0 110.246 -173.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.453 0 C-N-CA 125.478 1.511 . . . . 25.0 112.147 177.875 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t -50.35 -34.55 24.38 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.819 1.248 . . . . 25.0 111.658 -176.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -63.72 -33.1 74.9 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 119.89 -0.724 . . . . 25.0 112.603 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.77 -46.03 66.7 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 106.83 -1.545 . . . . 25.0 106.83 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.2 t -58.25 -50.63 77.77 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 O-C-N 121.27 -0.894 . . . . 25.0 110.142 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 115.626 -0.715 . . . . 25.0 110.565 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.94 -46.84 82.93 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.409 1.1 . . . . 25.0 109.908 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.56 -41.28 98.41 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.824 -1.08 . . . . 25.0 113.102 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.71 -35.2 80.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.489 0.661 . . . . 25.0 111.941 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.7 mt -68.75 -47.76 65.45 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-O 121.453 0.644 . . . . 25.0 112.571 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -74.56 -34.86 36.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 118.277 -1.369 . . . . 25.0 110.807 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -82.57 -21.09 35.38 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 121.635 -0.666 . . . . 25.0 109.598 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.61 179.58 46.31 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 123.207 1.448 . . . . 25.0 113.06 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -72.26 -0.83 13.19 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 121.479 -1.012 . . . . 25.0 112.766 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -27.32 64.36 Favored 'General case' 0 C--O 1.204 -1.299 0 O-C-N 125.871 1.982 . . . . 25.0 108.437 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.67 164.43 38.01 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 114.117 -1.401 . . . . 25.0 115.97 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -124.32 165.88 16.9 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.48 -1.674 . . . . 25.0 106.48 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.01 -165.07 0.99 Allowed 'General case' 0 C--O 1.255 1.367 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.807 -172.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.7 t80 52.88 64.24 1.94 Allowed 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 122.374 1.083 . . . . 25.0 113.86 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 40.8 p -131.36 161.26 32.8 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -102.98 115.1 64.68 Favored Pre-proline 0 C--O 1.224 -0.273 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -72.02 115.83 4.47 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 117.852 -0.965 . . . . 25.0 109.747 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 124.636 2.16 . . . . 25.0 110.037 -175.394 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 114.347 0.499 . . . . 25.0 114.347 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.4 mt -61.35 -43.7 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -172.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.21 -43.51 95.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 CA-C-O 121.772 0.796 . . . . 25.0 109.983 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -72.06 -39.25 69.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.471 -1.393 . . . . 25.0 112.367 -175.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.05 -41.73 94.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 125.414 1.697 . . . . 25.0 113.232 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -85.67 -51.25 6.58 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.63 -16.53 61.18 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 t -72.06 -5.21 33.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.932 -1.105 . . . . 25.0 113.715 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.7 p -139.96 -175.59 4.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 105.73 -1.952 . . . . 25.0 105.73 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.62 124.61 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 104.629 -2.36 . . . . 25.0 104.629 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.43 150.13 36.78 Favored 'General case' 0 CA--C 1.484 -1.56 0 CA-C-N 114.335 -1.302 . . . . 25.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.8 m -135.1 148.99 49.97 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 113.351 -1.75 . . . . 25.0 110.65 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.0 mm? -61.58 -33.43 73.87 Favored 'General case' 1 C--O 1.313 4.435 0 CA-C-O 124.726 2.203 . . . . 25.0 113.487 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -62.71 -40.04 95.93 Favored 'General case' 0 C--N 1.324 -0.517 1 O-C-N 115.625 -4.422 . . . . 25.0 112.452 171.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -72.23 -41.76 66.48 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 119.229 -2.17 . . . . 25.0 109.167 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.72 -29.11 64.46 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 114.322 1.23 . . . . 25.0 114.322 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.36 -25.84 67.43 Favored 'General case' 0 N--CA 1.439 -1.01 0 O-C-N 123.331 0.395 . . . . 25.0 111.821 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.72 -19.21 63.56 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.677 -0.639 . . . . 25.0 112.153 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -99.48 -2.39 36.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.67 164.85 18.36 Favored 'General case' 0 C--O 1.197 -1.679 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 CA--C 1.572 1.818 0 CA-C-O 124.258 1.98 . . . . 25.0 114.358 -172.517 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 122.095 0.95 . . . . 25.0 113.292 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t 62.83 102.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 126.098 1.759 . . . . 25.0 112.491 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -87.94 59.18 5.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 114.152 -1.386 . . . . 25.0 111.588 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.39 -165.13 1.96 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.617 -0.677 . . . . 25.0 109.977 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -77.83 93.82 4.41 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.48 122.19 26.13 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -133.74 167.66 20.12 Favored 'General case' 0 C--O 1.261 1.699 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -177.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 1.922 0 C-N-CA 127.214 2.206 . . . . 25.0 109.096 177.232 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -52.41 -33.89 45.86 Favored 'General case' 0 C--O 1.197 -1.69 0 C-N-CA 125.928 1.691 . . . . 25.0 111.479 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -68.69 -33.14 73.45 Favored 'General case' 0 C--O 1.187 -2.218 0 C-N-CA 119.582 -0.847 . . . . 25.0 111.176 -174.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.48 -38.4 74.39 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-O 122.434 1.111 . . . . 25.0 109.734 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.53 -44.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 120.964 -1.085 . . . . 25.0 108.648 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.25 -42.43 99.19 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 118.966 -0.54 . . . . 25.0 109.81 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.42 95.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.69 97.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 176.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -65.4 -35.34 80.65 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 123.409 1.576 . . . . 25.0 113.877 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 mt -72.39 -38.69 68.41 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 113.906 -1.497 . . . . 25.0 110.567 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -82.42 -34.62 12.18 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 119.31 -0.956 . . . . 25.0 112.56 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -79.72 -35.51 38.81 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 119.34 0.973 . . . . 25.0 110.038 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.76 173.63 14.52 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 120.457 -0.877 . . . . 25.0 112.892 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.79 -16.76 63.34 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.799 1.037 . . . . 25.0 113.799 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -76.64 -0.01 21.87 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 122.213 -0.304 . . . . 25.0 110.455 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -176.77 54.58 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 110.082 -1.207 . . . . 25.0 110.082 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -120.72 -41.94 2.55 Favored 'General case' 0 C--O 1.194 -1.833 0 N-CA-C 115.928 1.825 . . . . 25.0 115.928 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -154.66 161.42 41.58 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 108.623 -0.881 . . . . 25.0 108.623 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -123.79 134.57 53.61 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 105.893 -1.891 . . . . 25.0 105.893 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.0 t -142.78 158.73 43.35 Favored 'General case' 0 C--O 1.269 2.095 0 N-CA-C 106.669 -1.604 . . . . 25.0 106.669 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -96.2 116.01 65.92 Favored Pre-proline 0 N--CA 1.479 1.006 0 CA-C-O 119.185 -0.436 . . . . 25.0 111.435 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.84 108.88 2.75 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 117.811 -0.993 . . . . 25.0 111.882 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.176 -2.783 0 CA-C-O 125.645 2.641 . . . . 25.0 114.683 -176.619 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.14 0 CA-C-O 121.564 0.536 . . . . 25.0 111.925 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.17 -51.36 63.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.517 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.01 -31.8 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 CA-C-N 115.263 -0.881 . . . . 25.0 112.494 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -70.9 -36.79 72.87 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 108.031 -1.099 . . . . 25.0 108.031 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -70.56 -41.84 71.92 Favored 'General case' 0 C--O 1.199 -1.593 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -100.08 -22.15 15.31 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 120.533 3.531 . . . . 25.0 120.533 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.33 -11.97 59.97 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.538 -1.351 . . . . 25.0 109.012 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -121.32 151.54 39.97 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.842 -1.161 . . . . 25.0 108.067 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t 48.33 -148.14 0.22 Allowed 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.716 -171.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.5 112.8 21.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 105.692 -1.966 . . . . 25.0 105.692 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.1 p -83.7 159.43 21.51 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.271 0.357 . . . . 25.0 110.621 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.5 p -102.2 153.73 19.69 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 121.293 0.568 . . . . 25.0 112.144 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 mt -67.81 -19.77 65.11 Favored 'General case' 1 C--O 1.325 5.043 0 N-CA-C 106.67 -1.604 . . . . 25.0 106.67 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -63.3 -43.81 96.79 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.367 -3.333 . . . . 25.0 110.584 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -68.05 -40.94 82.7 Favored 'General case' 0 C--O 1.172 -3.0 0 CA-C-N 114.254 -1.339 . . . . 25.0 110.824 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.17 -39.39 82.37 Favored 'General case' 0 C--O 1.182 -2.495 0 O-C-N 120.759 -1.213 . . . . 25.0 109.827 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.64 -20.95 66.59 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 121.326 -0.858 . . . . 25.0 112.806 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -71.84 -16.64 62.16 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.547 -0.739 . . . . 25.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -85.98 -6.62 59.02 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 118.702 0.683 . . . . 25.0 110.093 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.3 m -76.06 167.26 22.19 Favored 'General case' 0 C--O 1.197 -1.697 0 CA-C-O 123.99 1.852 . . . . 25.0 106.635 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.506 2.371 0 CA-C-O 125.248 2.451 . . . . 25.0 115.688 174.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.0 t -91.35 118.48 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -108.93 128.56 55.04 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 114.732 -1.122 . . . . 25.0 112.145 -170.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -133.9 -155.35 0.66 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.296 -1.32 . . . . 25.0 108.46 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -85.69 75.95 10.02 Favored 'General case' 0 CA--C 1.466 -2.257 0 C-N-CA 123.029 0.531 . . . . 25.0 109.907 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.13 125.52 25.24 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 107.694 -1.225 . . . . 25.0 107.694 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.2 t -138.94 -58.84 0.6 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.532 3.66 0 C-N-CA 126.94 2.096 . . . . 25.0 111.152 -177.704 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -51.46 -30.25 19.13 Favored 'General case' 0 C--N 1.38 1.928 0 N-CA-C 115.369 1.618 . . . . 25.0 115.369 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -63.62 -27.67 69.39 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 120.372 -1.455 . . . . 25.0 112.073 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.75 -42.13 91.29 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 108.215 -1.032 . . . . 25.0 108.215 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.8 t -66.85 -43.76 89.42 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.549 0 CA-C-N 114.413 -1.267 . . . . 25.0 108.421 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -62.68 -39.74 94.92 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.402 -0.811 . . . . 25.0 110.453 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.97 84.46 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 118.432 0.56 . . . . 25.0 109.966 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -41.65 77.64 Favored 'General case' 0 C--O 1.206 -1.189 0 CA-C-O 121.169 0.509 . . . . 25.0 110.615 176.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -63.93 -43.16 96.73 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 119.578 -0.849 . . . . 25.0 112.092 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 mt -59.6 -47.05 87.09 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.454 0.645 . . . . 25.0 110.779 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.74 -28.27 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 O-C-N 120.507 -1.371 . . . . 25.0 112.053 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -85.75 -22.37 27.77 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 -173.15 50.27 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-O 124.816 2.342 . . . . 25.0 109.737 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -68.49 -11.0 59.2 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 112.823 -1.689 . . . . 25.0 109.371 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.8 mmm-85 -60.46 -31.61 70.61 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 122.439 1.114 . . . . 25.0 111.897 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.01 156.27 31.37 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-O 117.562 -1.688 . . . . 25.0 112.933 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -128.69 0.67 5.48 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 124.067 1.889 . . . . 25.0 110.836 -175.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -90.26 164.76 14.26 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 113.264 -1.789 . . . . 25.0 108.854 -169.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.46 142.57 42.02 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 115.62 -0.718 . . . . 25.0 111.582 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.9 p 62.79 131.41 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 117.376 2.362 . . . . 25.0 117.376 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -117.53 157.3 47.96 Favored Pre-proline 0 C--O 1.253 1.252 0 N-CA-C 105.587 -2.005 . . . . 25.0 105.587 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.09 102.71 1.62 Allowed 'Trans proline' 0 C--O 1.254 1.285 0 C-N-CA 121.102 1.201 . . . . 25.0 111.44 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.486 1.373 0 O-C-N 119.997 -1.689 . . . . 25.0 112.886 -172.299 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.006 0 N-CA-C 117.508 1.763 . . . . 25.0 117.508 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.444 ' H ' HG13 ' A' ' 2' ' ' ILE . 6.5 mt -57.6 -46.8 86.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 CA-C-O 121.004 0.43 . . . . 25.0 111.291 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 p -71.54 -31.51 42.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.648 0 CA-C-O 121.746 0.784 . . . . 25.0 112.66 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -64.63 -50.87 65.42 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -65.36 -40.31 93.43 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -79.85 -16.38 55.54 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.15 -38.07 10.31 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 120.69 -1.256 . . . . 25.0 113.102 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -75.14 -22.53 58.09 Favored 'General case' 0 CA--C 1.558 1.27 0 O-C-N 122.137 -0.352 . . . . 25.0 111.074 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.7 p -153.05 162.92 40.75 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 123.505 0.722 . . . . 25.0 110.334 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.72 95.11 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 108.383 -0.969 . . . . 25.0 108.383 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -68.37 150.82 47.72 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.655 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -92.95 147.56 22.74 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 121.603 0.716 . . . . 25.0 111.355 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.6 mt -55.83 -39.55 71.57 Favored 'General case' 1 C--O 1.34 5.829 0 CA-C-N 115.696 -0.684 . . . . 25.0 112.225 174.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -58.27 -35.16 71.34 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 118.562 -2.586 . . . . 25.0 114.168 171.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.03 -37.76 78.8 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.275 -1.515 . . . . 25.0 111.641 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -34.94 78.86 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.351 -0.84 . . . . 25.0 110.275 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -60.88 -19.28 59.98 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 114.836 1.421 . . . . 25.0 114.836 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -70.87 -16.39 62.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.016 0.913 . . . . 25.0 111.925 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -106.96 14.81 26.06 Favored 'General case' 0 CA--C 1.492 -1.252 0 C-N-CA 124.663 1.185 . . . . 25.0 108.258 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.64 -177.24 4.39 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 102.817 -3.031 . . . . 25.0 102.817 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--O 1.189 -2.081 0 CA-C-O 124.727 2.203 . . . . 25.0 111.735 179.66 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.5 t80 . . . . . 0 CA--C 1.483 -1.616 0 N-CA-C 115.676 1.732 . . . . 25.0 115.676 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 94.0 t -79.55 133.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 114.771 -1.104 . . . . 25.0 111.71 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -113.42 125.63 54.45 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 123.247 1.499 . . . . 25.0 109.745 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.77 -156.19 0.68 Allowed 'General case' 0 C--O 1.197 -1.69 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.67 93.38 2.07 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 106.397 -1.705 . . . . 25.0 106.397 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.81 78.41 7.59 Favored 'General case' 0 CA--C 1.502 -0.879 0 O-C-N 121.469 -0.769 . . . . 25.0 112.081 -171.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 83.9 m -101.58 157.62 16.69 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-O 122.771 1.272 . . . . 25.0 107.953 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.548 4.428 0 C-N-CA 126.259 1.824 . . . . 25.0 111.86 172.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t -49.11 -41.76 36.91 Favored 'General case' 0 C--N 1.374 1.639 0 O-C-N 124.207 0.942 . . . . 25.0 112.569 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -67.58 -36.0 80.06 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 124.6 1.187 . . . . 25.0 111.486 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.04 -47.01 81.86 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 106.948 -1.501 . . . . 25.0 106.948 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.43 -46.71 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 CA-C-N 115.202 -0.908 . . . . 25.0 110.642 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -57.5 -44.85 85.31 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.204 0.94 . . . . 25.0 110.463 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.27 91.44 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 120.684 0.278 . . . . 25.0 111.322 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -56.7 -46.56 81.16 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.059 0.457 . . . . 25.0 110.066 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -61.81 -41.55 97.9 Favored 'General case' 0 C--O 1.191 -1.979 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.51 -33.15 68.96 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 119.408 -0.917 . . . . 25.0 112.875 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.28 -32.62 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 119.973 -1.704 . . . . 25.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.88 -39.97 29.36 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 119.126 -1.03 . . . . 25.0 110.322 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.87 178.55 17.33 Favored Glycine 0 C--O 1.248 0.969 0 CA-C-O 122.445 1.025 . . . . 25.0 111.947 -175.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.63 -13.22 62.21 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.95 -0.625 . . . . 25.0 109.744 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -12.85 61.28 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 124.197 0.936 . . . . 25.0 109.991 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 173.92 46.73 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-O 123.832 1.796 . . . . 25.0 112.776 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -123.04 174.93 6.9 Favored 'General case' 0 C--O 1.206 -1.233 0 C-N-CA 125.592 1.557 . . . . 25.0 111.965 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -119.33 170.1 9.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.912 0.757 . . . . 25.0 110.321 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -111.53 92.49 4.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.891 -1.152 . . . . 25.0 107.891 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p 67.74 144.95 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 126.724 2.01 . . . . 25.0 113.615 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -72.58 142.52 83.94 Favored Pre-proline 0 N--CA 1.485 1.283 0 O-C-N 121.655 -0.653 . . . . 25.0 110.109 -175.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.54 89.28 1.21 Allowed 'Trans proline' 0 CA--C 1.554 1.509 0 C-N-CA 114.975 -2.883 . . . . 25.0 112.671 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.186 -2.251 0 CA-C-O 124.938 2.304 . . . . 25.0 113.66 -176.293 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.556 0 CA-C-O 125.792 2.884 . . . . 25.0 110.339 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mp -66.18 -46.82 86.55 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.076 0 CA-C-N 110.603 -2.799 . . . . 25.0 111.424 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.504 HG12 HD12 ' B' ' 11' ' ' LEU . 32.7 m -71.07 -32.89 49.5 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 O-C-N 121.043 -1.036 . . . . 25.0 110.22 -176.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -64.55 -47.04 80.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.514 -0.312 . . . . 25.0 110.646 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -66.49 -45.08 80.81 Favored 'General case' 0 CA--C 1.559 1.32 0 O-C-N 123.358 0.411 . . . . 25.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -71.38 -23.69 61.94 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.243 1.572 . . . . 25.0 115.243 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.54 -37.79 59.78 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 120.539 1.518 . . . . 25.0 112.727 172.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -86.12 -26.66 25.1 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.579 1.081 . . . . 25.0 113.166 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t -126.46 179.66 5.2 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 -171.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mm -89.8 131.08 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.4 m -113.35 87.32 2.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.824 0.85 . . . . 25.0 112.664 175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.7 m -68.01 153.29 44.04 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.98 0.895 . . . . 25.0 110.546 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -52.59 -45.0 66.32 Favored 'General case' 1 C--O 1.324 4.995 0 O-C-N 119.644 -1.91 . . . . 25.0 109.942 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -55.01 -42.47 72.6 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 116.172 -4.08 . . . . 25.0 113.891 176.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.14 -38.0 78.58 Favored 'General case' 0 CA--C 1.559 1.31 0 O-C-N 119.831 -1.793 . . . . 25.0 112.008 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -60.2 -30.17 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.427 -0.796 . . . . 25.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.23 -23.84 62.66 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-O 119.157 -0.449 . . . . 25.0 110.909 175.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.35 -19.76 65.48 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.122 1.328 . . . . 25.0 112.418 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.6 -3.7 35.65 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 121.553 0.692 . . . . 25.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 t -70.38 158.92 35.1 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 121.875 0.845 . . . . 25.0 109.942 176.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.508 2.46 0 CA-C-O 124.966 2.317 . . . . 25.0 113.532 174.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 N--CA 1.517 2.876 0 N-CA-C 117.786 2.513 . . . . 25.0 117.786 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.8 t -83.16 123.71 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 120.605 -1.309 . . . . 25.0 111.178 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -82.86 125.2 31.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.735 0.778 . . . . 25.0 112.491 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.62 -162.87 0.91 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 -175.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -61.61 150.31 36.63 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 172.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -141.05 128.85 21.67 Favored 'General case' 0 C--O 1.198 -1.627 0 C-N-CA 123.59 0.756 . . . . 25.0 109.372 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m -142.23 -166.28 2.21 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.612 3.346 0 C-N-CA 125.235 1.414 . . . . 25.0 111.567 179.594 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -64.23 -28.87 70.03 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 114.559 -1.201 . . . . 25.0 109.087 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -54.98 -37.37 66.46 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 116.593 -1.67 . . . . 25.0 111.766 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.504 HD12 HG12 ' A' ' 3' ' ' VAL . 1.8 tm? -66.01 -44.89 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 120.195 1.361 . . . . 25.0 108.456 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.26 -49.07 85.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.117 0.484 . . . . 25.0 109.741 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -43.04 98.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.404 -0.362 . . . . 25.0 110.712 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.65 92.48 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 121.59 -0.693 . . . . 25.0 109.324 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.44 -42.1 98.23 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.86 -42.56 97.51 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.235 -0.915 . . . . 25.0 110.711 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.36 -42.39 79.26 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.915 0.709 . . . . 25.0 112.915 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -72.88 -33.15 42.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 C-N-CA 120.295 -0.562 . . . . 25.0 110.407 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -77.02 -36.29 56.33 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 114.028 1.122 . . . . 25.0 114.028 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.17 -177.61 20.32 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 125.01 2.45 . . . . 25.0 114.622 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.52 -14.16 60.44 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 112.349 -1.926 . . . . 25.0 111.709 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -17.81 61.77 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-N 116.007 -0.542 . . . . 25.0 112.226 174.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.0 -163.57 24.83 Favored Glycine 0 C--O 1.202 -1.882 0 C-N-CA 117.66 -2.209 . . . . 25.0 114.841 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -148.37 153.22 38.29 Favored 'General case' 0 C--O 1.186 -2.263 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.88 27.69 8.55 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-O 121.489 0.662 . . . . 25.0 110.148 -170.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.11 4.45 14.62 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 114.416 -1.265 . . . . 25.0 111.008 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.0 t -142.55 52.3 1.43 Allowed 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 122.808 1.29 . . . . 25.0 111.348 -173.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -78.39 131.4 68.78 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 114.65 -1.159 . . . . 25.0 111.873 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -80.53 87.3 1.53 Allowed 'Trans proline' 0 C--N 1.377 2.078 0 CA-C-O 122.732 1.055 . . . . 25.0 111.276 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 N--CA 1.506 2.337 0 C-N-CA 126.018 1.727 . . . . 25.0 115.022 -171.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.449 0 CA-C-O 124.473 2.152 . . . . 25.0 112.707 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.408 HG12 ' H ' ' A' ' 2' ' ' ILE . 0.8 OUTLIER -56.41 -46.97 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 113.841 -1.18 . . . . 25.0 113.299 -173.578 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -78.34 -28.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 118.543 -1.263 . . . . 25.0 110.852 -174.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.88 -39.34 83.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.961 -1.126 . . . . 25.0 107.961 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -72.61 -35.33 67.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.738 -0.602 . . . . 25.0 111.852 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.15 -45.79 31.82 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 114.299 1.222 . . . . 25.0 114.299 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.2 m -71.94 -17.67 62.06 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 115.766 1.765 . . . . 25.0 115.766 -169.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -79.57 -4.53 51.92 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 119.979 -0.688 . . . . 25.0 109.806 -174.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 t -150.78 -158.95 0.97 Allowed 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 100.846 -3.761 . . . . 25.0 100.846 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -120.88 99.38 7.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 101.265 -3.606 . . . . 25.0 101.265 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.22 156.36 38.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.35 -0.841 . . . . 25.0 111.354 -174.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 p -103.67 157.91 16.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 122.648 1.213 . . . . 25.0 111.524 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.04 -35.22 79.53 Favored 'General case' 1 C--O 1.35 6.356 0 O-C-N 120.287 -1.508 . . . . 25.0 107.643 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -54.95 -43.76 73.7 Favored 'General case' 0 C--O 1.196 -1.755 0 C-N-CA 128.4 2.68 . . . . 25.0 111.331 171.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.46 -38.26 71.29 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 119.652 -1.905 . . . . 25.0 110.071 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.18 -26.09 68.14 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -59.52 -27.48 66.22 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 25.0 111.361 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.14 -16.75 63.72 Favored 'General case' 0 C--O 1.205 -1.25 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -93.3 -7.43 44.96 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.58 0.705 . . . . 25.0 110.014 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -87.53 -30.71 20.37 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.068 -2.197 . . . . 25.0 105.068 169.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.363 1.159 0 O-C-N 118.965 -2.335 . . . . 25.0 112.626 -169.126 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 . . . . . 0 C--O 1.209 -1.056 0 CA-C-O 126.634 3.111 . . . . 25.0 114.171 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.36 137.79 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 110.788 -2.914 . . . . 25.0 107.835 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -76.55 21.13 0.2 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -77.71 -176.89 4.57 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.137 -0.938 . . . . 25.0 109.406 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -70.31 -9.15 55.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 113.608 0.966 . . . . 25.0 113.608 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt 51.44 63.3 2.3 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.536 0.939 . . . . 25.0 113.536 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -101.62 161.09 13.9 Favored 'General case' 0 C--O 1.274 2.352 0 N-CA-C 113.661 0.985 . . . . 25.0 113.661 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.157 0 CA-C-O 123.1 1.428 . . . . 25.0 110.063 174.318 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t -59.83 -33.28 71.56 Favored 'General case' 0 C--N 1.379 1.852 0 O-C-N 117.949 -2.969 . . . . 25.0 113.206 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -69.93 -31.08 68.65 Favored 'General case' 0 C--O 1.207 -1.164 0 O-C-N 121.59 -0.694 . . . . 25.0 109.72 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.09 -49.14 68.62 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.928 -1.878 . . . . 25.0 105.928 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 t -66.02 -37.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.027 -0.269 . . . . 25.0 110.768 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.95 -47.29 81.05 Favored 'General case' 0 CA--C 1.561 1.37 0 N-CA-C 109.158 -0.682 . . . . 25.0 109.158 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.56 99.56 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 122.086 -0.384 . . . . 25.0 110.931 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -43.5 96.87 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 118.439 -0.791 . . . . 25.0 110.528 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -63.76 -42.14 97.86 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.44 -37.48 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.4 -28.28 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 122.638 1.209 . . . . 25.0 112.866 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.35 -39.38 25.17 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.074 -0.966 . . . . 25.0 112.105 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.45 -147.96 17.34 Favored Glycine 0 C--O 1.19 -2.601 0 CA-C-O 124.382 2.101 . . . . 25.0 111.176 -172.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.12 79.64 1.75 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.845 -1.678 . . . . 25.0 110.974 -170.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 43.11 58.34 3.35 Favored 'General case' 0 C--O 1.188 -2.136 0 O-C-N 125.684 1.865 . . . . 25.0 113.27 172.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.42 24.99 9.91 Favored Glycine 0 C--O 1.196 -2.265 0 N-CA-C 110.278 -1.129 . . . . 25.0 110.278 172.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -149.59 169.63 20.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 104.682 -2.34 . . . . 25.0 104.682 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -123.96 164.73 18.72 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 122.242 1.02 . . . . 25.0 110.141 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -74.29 -40.1 62.5 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 173.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.7 t -161.99 165.14 27.83 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 105.579 -2.008 . . . . 25.0 105.579 172.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -132.96 133.05 22.77 Favored Pre-proline 0 N--CA 1.475 0.807 0 CA-C-N 115.571 -0.741 . . . . 25.0 111.235 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -74.19 103.65 1.71 Allowed 'Trans proline' 0 CA--C 1.554 1.487 0 C-N-CA 115.21 -2.726 . . . . 25.0 111.072 173.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 125.92 2.772 . . . . 25.0 114.152 -179.211 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.537 5.42 0 CA-C-O 123.711 1.728 . . . . 25.0 112.761 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.6 mt -63.62 -40.89 90.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 CA-C-N 113.95 -1.125 . . . . 25.0 111.447 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.72 -33.63 62.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 122.311 1.053 . . . . 25.0 113.119 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -38.78 92.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.439 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -83.96 -35.41 23.99 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.687 0.995 . . . . 25.0 113.687 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.4 -16.17 18.49 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 116.637 2.088 . . . . 25.0 116.637 -175.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 t -86.65 -0.93 57.2 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.464 -1.398 . . . . 25.0 108.365 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -117.97 160.78 20.88 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 51.22 -153.66 0.17 Allowed 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 123.932 0.893 . . . . 25.0 112.036 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.7 mm -110.34 117.31 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.55 113.08 3.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.754 -1.202 . . . . 25.0 107.754 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -104.39 154.69 19.53 Favored 'General case' 0 C--O 1.199 -1.605 0 CA-C-O 121.875 0.845 . . . . 25.0 112.292 -173.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.3 mt -58.27 -38.23 76.54 Favored 'General case' 1 C--O 1.308 4.135 0 O-C-N 119.414 -2.054 . . . . 25.0 111.897 -175.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.99 -42.31 97.23 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 123.374 1.559 . . . . 25.0 109.1 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -65.1 -47.37 77.47 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.339 -1.755 . . . . 25.0 108.62 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt -55.43 -40.12 71.1 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.933 0.77 . . . . 25.0 112.943 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -63.61 -25.11 68.08 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-O 117.674 -1.155 . . . . 25.0 112.728 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -70.65 -31.76 68.81 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 119.913 1.233 . . . . 25.0 108.123 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -78.64 -7.55 57.75 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 113.499 0.926 . . . . 25.0 113.499 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t -77.94 -19.22 54.99 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 C--O 1.207 -1.136 0 CA-C-O 125.366 2.508 . . . . 25.0 111.328 -175.686 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 CA--C 1.557 1.248 0 CA-C-O 125.653 2.644 . . . . 25.0 114.8 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -114.77 126.08 72.24 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.542 0 C-N-CA 128.335 2.654 . . . . 25.0 108.31 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.89 131.14 55.56 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -165.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 105.171 -2.159 . . . . 25.0 105.171 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -64.77 137.29 57.7 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 104.916 -2.253 . . . . 25.0 104.916 165.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.26 128.45 43.26 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 123.979 0.8 . . . . 25.0 112.152 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.7 163.43 26.15 Favored 'General case' 0 C--O 1.252 1.185 0 O-C-N 124.391 1.057 . . . . 25.0 109.408 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.775 0 C-N-CA 126.189 1.796 . . . . 25.0 112.876 171.703 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -47.22 -35.84 8.1 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 125.141 1.376 . . . . 25.0 113.174 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -62.47 -41.67 98.94 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 120.868 -1.145 . . . . 25.0 113.067 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.25 -38.76 78.62 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 115.266 -0.879 . . . . 25.0 109.027 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.82 -43.9 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 119.808 -0.757 . . . . 25.0 110.481 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -40.55 95.07 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.111 -0.636 . . . . 25.0 111.91 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.87 95.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -42.27 95.56 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-N 118.038 0.381 . . . . 25.0 110.153 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -60.47 -42.39 96.15 Favored 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 113.409 0.892 . . . . 25.0 113.409 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.08 -40.81 98.76 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 121.03 -1.044 . . . . 25.0 112.419 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.2 t -64.09 -43.68 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.163 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.871 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 -9.41 57.16 Favored 'General case' 0 C--O 1.27 2.143 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.52 -158.15 53.59 Favored Glycine 0 N--CA 1.429 -1.794 0 N-CA-C 109.297 -1.521 . . . . 25.0 109.297 -174.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.26 6.59 9.51 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.219 -1.166 . . . . 25.0 112.665 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -78.95 -26.99 43.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.405 0.548 . . . . 25.0 110.902 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 -176.04 51.47 Favored Glycine 0 N--CA 1.485 1.906 0 C-N-CA 120.047 -1.073 . . . . 25.0 114.622 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -141.71 16.79 2.16 Favored 'General case' 0 C--O 1.247 0.958 0 C-N-CA 124.413 1.085 . . . . 25.0 113.64 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -90.56 137.98 31.93 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -77.66 -48.33 17.07 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 105.301 -2.111 . . . . 25.0 105.301 167.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -145.18 142.68 29.8 Favored 'General case' 0 C--O 1.208 -1.09 0 CA-C-N 115.135 -0.939 . . . . 25.0 108.489 171.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -85.14 115.52 61.53 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 103.189 -2.893 . . . . 25.0 103.189 173.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.6 115.64 2.68 Favored 'Trans proline' 0 C--O 1.193 -1.729 0 C-N-CA 117.825 -0.983 . . . . 25.0 113.96 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.311 -1.074 0 CA-C-O 122.901 1.334 . . . . 25.0 110.251 -177.259 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.288 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.426 ' H ' HG13 ' A' ' 2' ' ' ILE . 9.9 mt -60.03 -41.53 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.207 -1.172 . . . . 25.0 110.843 -172.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.5 t -61.43 -54.26 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-O 118.249 -0.881 . . . . 25.0 109.133 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.48 -44.12 95.32 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.944 0.777 . . . . 25.0 110.84 -173.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -67.9 -35.47 78.55 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 118.2 0.454 . . . . 25.0 112.159 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.5 m -81.72 -21.23 38.07 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.555 0.946 . . . . 25.0 113.555 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.7 m -82.61 -40.91 20.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 O-C-N 120.026 -1.671 . . . . 25.0 109.475 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -84.15 -16.06 44.87 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 120.689 -1.257 . . . . 25.0 112.219 -176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -147.9 162.68 38.8 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 119.307 0.958 . . . . 25.0 110.966 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.77 131.86 34.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 p -126.92 163.63 23.22 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 104.412 -2.44 . . . . 25.0 104.412 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.34 168.91 18.76 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD22 ' H ' ' A' ' 13' ' ' LEU . 3.0 mm? -59.93 -38.81 83.46 Favored 'General case' 1 C--O 1.323 4.934 0 CA-C-N 114.273 -1.331 . . . . 25.0 112.342 -169.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -52.13 -50.34 61.92 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 123.312 1.529 . . . . 25.0 111.329 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -68.72 -37.91 79.81 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 120.483 -1.385 . . . . 25.0 111.047 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.08 -35.71 69.71 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.51 -31.04 69.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.546 -0.752 . . . . 25.0 111.405 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -70.52 -9.06 55.74 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 120.448 -1.408 . . . . 25.0 114.439 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -100.09 8.06 44.2 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 123.45 0.7 . . . . 25.0 110.187 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -155.91 -139.51 0.08 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.15 -1.796 . . . . 25.0 106.15 -174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 123.25 1.5 . . . . 25.0 108.222 174.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.203 -1.389 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.79 143.87 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-O 121.869 0.842 . . . . 25.0 109.923 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -85.34 84.14 7.75 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.027 -1.046 . . . . 25.0 108.973 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -135.31 -179.96 5.95 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 106.323 -1.732 . . . . 25.0 106.323 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -70.04 154.01 42.48 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.73 112.97 18.57 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.1 -179.2 5.52 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.563 0.697 . . . . 25.0 111.501 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.615 3.461 0 C-N-CA 126.158 1.783 . . . . 25.0 112.609 -179.577 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t -75.71 -21.27 57.71 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 107.009 -1.478 . . . . 25.0 107.009 -175.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -34.04 77.0 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 124.315 1.009 . . . . 25.0 113.201 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -34.19 67.86 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.286 -1.746 . . . . 25.0 106.286 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -71.66 -43.77 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-O 121.808 0.814 . . . . 25.0 109.516 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -64.53 -37.27 86.98 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 115.064 -0.971 . . . . 25.0 109.558 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.34 92.83 Favored 'General case' 0 C--O 1.257 1.496 0 O-C-N 120.739 -1.226 . . . . 25.0 112.257 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.43 -45.0 92.79 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 124.805 1.316 . . . . 25.0 110.307 171.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -65.16 -35.91 82.59 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 121.551 -0.718 . . . . 25.0 112.846 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.79 -44.94 69.06 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -75.62 -30.51 21.86 Favored 'Isoleucine or valine' 0 C--O 1.258 1.55 0 CA-C-O 121.0 0.428 . . . . 25.0 111.807 -174.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.04 -36.12 28.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 118.749 -1.18 . . . . 25.0 112.327 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.04 -174.54 24.35 Favored Glycine 0 C--N 1.305 -1.141 0 CA-C-O 122.843 1.246 . . . . 25.0 112.308 -172.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.04 7.58 0.53 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 125.389 1.476 . . . . 25.0 114.06 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -75.3 -29.78 60.17 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 124.541 1.151 . . . . 25.0 109.789 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.35 170.79 47.54 Favored Glycine 0 C--O 1.205 -1.709 0 CA-C-O 117.708 -1.607 . . . . 25.0 114.446 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -125.99 -43.57 1.82 Allowed 'General case' 0 C--O 1.201 -1.466 0 CA-C-N 118.487 1.144 . . . . 25.0 113.675 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -153.8 159.11 41.76 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.494 -177.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.3 29.73 6.57 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -139.34 144.42 38.23 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 172.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -144.54 117.31 5.55 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 108.355 -0.979 . . . . 25.0 108.355 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.76 113.02 3.69 Favored 'Trans proline' 0 C--O 1.249 1.039 0 CA-C-O 123.052 1.189 . . . . 25.0 110.327 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.354 0.768 0 C-N-CA 119.094 -1.043 . . . . 25.0 113.607 -179.746 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.681 0 CA-C-O 126.513 3.285 . . . . 25.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.8 mt -51.24 -58.78 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.63 0 CA-C-N 112.355 -1.922 . . . . 25.0 113.482 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.57 -40.83 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 -172.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.92 -49.01 78.22 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 118.74 -0.648 . . . . 25.0 110.685 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.29 -34.4 77.31 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.8 t -76.5 -40.09 51.21 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 114.557 1.317 . . . . 25.0 114.557 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -62.34 -32.79 73.61 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.578 1.695 . . . . 25.0 115.578 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 t -82.45 142.61 31.77 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t 53.69 -175.84 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 124.598 2.142 . . . . 25.0 113.905 -167.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mm -78.22 123.48 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 114.365 -1.289 . . . . 25.0 107.818 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.57 160.95 14.11 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.578 0.751 . . . . 25.0 112.197 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.9 p -148.46 157.83 43.72 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.229 0.538 . . . . 25.0 110.75 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.02 -33.14 70.4 Favored 'General case' 1 C--O 1.312 4.372 0 CA-C-O 124.496 2.093 . . . . 25.0 109.364 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -60.7 -36.6 79.19 Favored 'General case' 0 C--N 1.381 1.948 0 O-C-N 117.046 -3.534 . . . . 25.0 113.826 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -76.54 -37.28 56.88 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 119.448 -2.032 . . . . 25.0 111.418 174.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.78 -35.85 77.49 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.049 0.389 . . . . 25.0 112.049 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.02 -22.15 62.25 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 116.629 2.085 . . . . 25.0 116.629 171.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.85 -11.97 60.8 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.533 -0.867 . . . . 25.0 112.309 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -98.18 3.48 49.02 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 121.438 -0.789 . . . . 25.0 111.114 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.7 m -104.65 177.28 4.89 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.0 t30 . . . . . 0 C--O 1.204 -1.322 0 O-C-N 119.5 -2.0 . . . . 25.0 115.811 173.463 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 116.158 1.911 . . . . 25.0 116.158 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 p -132.07 146.77 32.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 N-CA-C 105.271 -2.122 . . . . 25.0 105.271 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -91.34 74.97 6.09 Favored 'General case' 0 C--O 1.265 1.901 0 N-CA-C 107.602 -1.258 . . . . 25.0 107.602 -176.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -144.08 -163.34 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 25.0 111.204 -170.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.56 82.62 1.11 Allowed 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.65 122.94 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 106.044 -1.835 . . . . 25.0 106.044 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -143.06 175.67 9.68 Favored 'General case' 0 C--O 1.255 1.365 0 N-CA-C 114.371 1.249 . . . . 25.0 114.371 -177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.588 2.427 0 C-N-CA 128.237 2.615 . . . . 25.0 111.78 176.491 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.0 t -60.08 -33.24 71.81 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 122.294 1.045 . . . . 25.0 110.077 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -63.52 -31.81 73.08 Favored 'General case' 0 C--O 1.249 1.051 0 O-C-N 120.343 -1.473 . . . . 25.0 113.758 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.25 -44.12 84.61 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.694 -0.802 . . . . 25.0 110.406 171.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.0 -46.41 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.76 -44.69 90.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.633 -1.167 . . . . 25.0 112.061 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -34.56 62.75 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 121.564 -0.71 . . . . 25.0 110.947 -177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.04 -44.99 87.27 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 118.22 -1.392 . . . . 25.0 112.039 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -58.8 -41.62 87.16 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 121.385 0.612 . . . . 25.0 110.63 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.43 -50.65 71.97 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.094 -0.957 . . . . 25.0 113.182 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -72.49 -29.77 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 119.424 1.011 . . . . 25.0 112.327 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -40.72 47.27 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.306 -0.871 . . . . 25.0 109.789 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.85 -171.83 21.21 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-N 114.884 -1.053 . . . . 25.0 114.899 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.73 -16.88 63.94 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.157 -1.79 . . . . 25.0 113.061 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -13.41 40.99 Favored 'General case' 0 C--O 1.2 -1.54 0 N-CA-C 114.698 1.37 . . . . 25.0 114.698 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.21 -172.13 50.34 Favored Glycine 0 CA--C 1.499 -0.965 0 C-N-CA 120.334 -0.936 . . . . 25.0 115.347 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -144.11 166.08 26.02 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -116.42 170.94 8.17 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.163 -0.68 . . . . 25.0 109.163 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.8 21.86 0.64 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.79 1.236 . . . . 25.0 112.631 -174.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.5 p 72.92 157.3 0.18 Allowed 'General case' 0 C--O 1.206 -1.197 0 C-N-CA 127.639 2.375 . . . . 25.0 114.504 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -95.48 139.57 22.01 Favored Pre-proline 0 C--O 1.204 -1.296 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.84 113.11 3.56 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 117.792 -1.005 . . . . 25.0 111.108 166.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.199 -1.587 0 CA-C-O 124.031 1.872 . . . . 25.0 110.788 -172.127 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 CA-C-O 125.672 2.818 . . . . 25.0 112.575 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.89 -35.92 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.91 0 CA-C-N 110.835 -2.682 . . . . 25.0 110.32 -175.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.18 -45.36 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 O-C-N 120.309 -1.495 . . . . 25.0 109.68 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -71.7 -41.67 68.32 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.59 -0.694 . . . . 25.0 111.287 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -62.1 -41.94 98.72 Favored 'General case' 0 CA--C 1.578 2.049 0 N-CA-C 114.899 1.444 . . . . 25.0 114.899 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.02 -7.09 10.9 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.459 2.022 . . . . 25.0 116.459 -170.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.86 -29.53 50.48 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.222 -2.174 . . . . 25.0 109.069 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 t -104.28 -4.11 23.39 Favored 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 m -135.0 162.27 32.91 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.269 -0.895 . . . . 25.0 110.5 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mm -73.14 128.12 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 119.405 -0.331 . . . . 25.0 110.269 172.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m -127.55 151.98 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 m -115.6 170.97 8.03 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.54 -35.21 62.97 Favored 'General case' 1 C--O 1.312 4.387 0 C-N-CA 124.061 0.945 . . . . 25.0 111.306 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -61.12 -37.62 83.43 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 117.018 -3.551 . . . . 25.0 114.212 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -75.42 -37.65 60.31 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 114.981 -1.009 . . . . 25.0 110.128 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.76 -24.77 67.66 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 117.799 -1.56 . . . . 25.0 113.081 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -57.11 -28.64 62.86 Favored 'General case' 0 C--O 1.239 0.504 0 O-C-N 121.728 -0.607 . . . . 25.0 111.339 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -66.13 -15.96 63.55 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.636 -0.665 . . . . 25.0 111.213 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -106.62 8.48 31.2 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.587 0.708 . . . . 25.0 109.507 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.9 m -107.54 -174.14 2.46 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 102.005 -3.331 . . . . 25.0 102.005 169.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 . . . . . 0 C--N 1.355 0.843 0 CA-C-O 127.871 3.7 . . . . 25.0 111.32 174.879 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 122.94 1.352 . . . . 25.0 112.598 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.94 126.06 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 113.926 -1.488 . . . . 25.0 108.858 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -73.97 128.77 36.39 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.301 -0.874 . . . . 25.0 112.139 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -156.31 -173.19 4.39 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.42 149.92 47.82 Favored 'General case' 0 C--O 1.194 -1.844 0 N-CA-C 106.887 -1.523 . . . . 25.0 106.887 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -129.26 105.88 8.44 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 122.807 0.443 . . . . 25.0 110.383 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -128.12 159.71 34.27 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.101 0 CA-C-O 123.464 1.602 . . . . 25.0 111.226 174.604 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t -55.73 -34.62 65.33 Favored 'General case' 0 C--N 1.403 2.892 0 O-C-N 118.345 -2.722 . . . . 25.0 113.841 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -63.53 -39.4 94.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.201 1.001 . . . . 25.0 109.141 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.2 -47.16 80.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.757 -1.111 . . . . 25.0 108.724 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.6 -47.63 92.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.19 -41.44 90.2 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.974 0.91 . . . . 25.0 112.678 -177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.05 90.8 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.437 1.017 . . . . 25.0 109.578 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 tp -66.15 -43.68 86.29 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.44 -42.68 99.63 Favored 'General case' 0 C--O 1.242 0.665 0 O-C-N 123.848 0.718 . . . . 25.0 110.11 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -62.39 -41.32 98.57 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.912 -0.492 . . . . 25.0 112.204 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -78.31 -29.04 15.01 Favored 'Isoleucine or valine' 0 C--O 1.251 1.134 0 O-C-N 121.337 -0.852 . . . . 25.0 111.147 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -20.01 56.42 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 176.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.81 -171.7 54.63 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 107.989 -2.044 . . . . 25.0 107.989 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -68.36 -6.13 22.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.61 -0.795 . . . . 25.0 110.485 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -21.06 64.32 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 123.259 0.35 . . . . 25.0 111.122 -178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.13 -179.97 53.33 Favored Glycine 0 N--CA 1.467 0.704 0 N-CA-C 111.334 -0.706 . . . . 25.0 111.334 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -143.44 168.33 20.09 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 114.583 -0.808 . . . . 25.0 109.69 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -127.4 23.76 6.33 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.251 -0.431 . . . . 25.0 111.897 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -63.43 -33.33 75.33 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -162.05 165.96 26.54 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 102.13 -3.285 . . . . 25.0 102.13 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -86.5 124.08 70.18 Favored Pre-proline 0 C--O 1.208 -1.081 0 C-N-CA 118.9 -1.12 . . . . 25.0 109.242 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -75.23 72.0 4.95 Favored 'Trans proline' 0 CA--C 1.557 1.632 0 O-C-N 123.149 1.078 . . . . 25.0 112.038 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 125.091 2.377 . . . . 25.0 113.98 179.175 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.517 4.082 0 CA-C-O 125.113 2.507 . . . . 25.0 113.687 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.69 -50.37 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.99 0 O-C-N 120.816 -1.402 . . . . 25.0 110.678 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -72.03 -33.15 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.59 0 C-N-CA 118.382 -1.327 . . . . 25.0 110.512 -174.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.13 -35.99 81.96 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.221 1.01 . . . . 25.0 109.926 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -76.12 -47.63 23.69 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.574 -0.739 . . . . 25.0 111.315 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -109.64 -26.77 9.72 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 118.663 2.838 . . . . 25.0 118.663 -166.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.3 m -91.83 -18.58 23.61 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 119.957 -1.714 . . . . 25.0 112.918 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -116.77 -8.05 11.43 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 122.901 1.334 . . . . 25.0 110.221 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.9 m -136.12 -176.94 4.48 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -106.19 135.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 174.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 p -133.41 170.17 15.88 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m -129.65 168.79 15.93 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mp -58.83 -30.28 67.53 Favored 'General case' 1 C--O 1.359 6.852 0 C-N-CA 128.288 2.635 . . . . 25.0 110.706 -171.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -58.61 -51.37 70.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 118.643 -2.536 . . . . 25.0 110.96 174.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -66.78 -36.35 82.21 Favored 'General case' 0 C--O 1.203 -1.37 0 CA-C-N 115.829 -0.623 . . . . 25.0 109.321 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.39 -28.81 70.04 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.51 0.93 . . . . 25.0 113.51 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.68 -24.41 63.91 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -68.11 -22.57 64.88 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.89 -0.724 . . . . 25.0 111.986 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -87.23 0.41 55.4 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 123.298 1.523 . . . . 25.0 109.466 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -96.21 -176.87 3.79 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 106.975 -1.491 . . . . 25.0 106.975 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 t30 . . . . . 0 C--O 1.183 -2.413 0 CA-C-O 126.828 3.204 . . . . 25.0 109.075 168.565 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 125.77 2.7 . . . . 25.0 114.785 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.59 161.83 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 105.252 -2.129 . . . . 25.0 105.252 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -75.88 10.45 1.84 Allowed 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.85 179.32 4.94 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -56.79 132.48 52.4 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 120.713 -1.242 . . . . 25.0 108.3 170.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.45 105.77 11.96 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.21 -170.37 3.63 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 103.89 -2.633 . . . . 25.0 103.89 177.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 1.556 0 C-N-CA 126.89 2.076 . . . . 25.0 109.876 -178.368 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -60.62 -25.48 66.31 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 119.581 -1.949 . . . . 25.0 111.64 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -60.05 -43.4 95.41 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.043 0.925 . . . . 25.0 111.642 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -48.26 74.13 Favored 'General case' 0 C--O 1.204 -1.298 0 O-C-N 120.977 -1.077 . . . . 25.0 109.193 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.18 -39.59 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 125.248 1.592 . . . . 25.0 110.052 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.62 -41.4 72.28 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 25.0 111.359 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.13 86.81 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 115.285 -0.87 . . . . 25.0 112.295 174.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.427 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 6.5 mt -66.91 -43.01 84.49 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.691 -1.14 . . . . 25.0 109.452 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -58.25 -38.93 77.88 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 119.421 -0.323 . . . . 25.0 110.588 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.95 -35.73 69.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.947 -1.095 . . . . 25.0 113.664 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 m -81.34 -21.62 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 124.198 0.937 . . . . 25.0 112.52 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.61 -41.32 8.97 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 118.711 -0.661 . . . . 25.0 112.158 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.65 -177.19 21.17 Favored Glycine 0 C--O 1.255 1.409 0 N-CA-C 107.799 -2.12 . . . . 25.0 107.799 -176.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -60.74 -26.71 67.39 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.099 -1.236 . . . . 25.0 112.534 -173.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -13.36 28.69 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.44 -164.47 49.31 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 119.686 -1.245 . . . . 25.0 111.894 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 49.5 p90 -148.67 165.8 30.27 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 125.696 1.599 . . . . 25.0 107.729 -176.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -101.06 163.6 12.21 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 123.989 0.916 . . . . 25.0 112.819 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -128.68 115.99 18.88 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 104.182 -2.525 . . . . 25.0 104.182 171.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.7 m 73.5 130.05 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.403 1.081 . . . . 25.0 113.621 -172.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -63.93 119.87 58.8 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 118.937 -0.554 . . . . 25.0 111.941 -175.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.28 112.32 3.52 Favored 'Trans proline' 0 C--O 1.221 -0.363 0 C-N-CA 116.602 -1.799 . . . . 25.0 110.509 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.211 -0.939 0 CA-C-O 123.437 1.589 . . . . 25.0 111.222 -176.233 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.183 -3.045 0 N-CA-C 116.796 1.479 . . . . 25.0 116.796 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.14 -63.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.87 -29.34 33.19 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.091 0 C-N-CA 119.615 -0.834 . . . . 25.0 113.07 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -60.42 -36.99 79.47 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.798 -1.556 . . . . 25.0 106.798 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -78.97 -57.33 3.8 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.41 -13.15 60.14 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 119.724 3.231 . . . . 25.0 119.724 -172.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.3 -24.75 46.55 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 119.376 -0.93 . . . . 25.0 109.627 174.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -107.93 -29.49 9.0 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.48 0.582 . . . . 25.0 110.388 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -110.72 -179.86 3.87 Favored 'General case' 0 C--O 1.198 -1.63 0 CA-C-N 115.853 -0.612 . . . . 25.0 111.45 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.1 mm -101.17 127.55 54.31 Favored 'Isoleucine or valine' 0 C--O 1.263 1.782 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.98 132.45 56.65 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.838 -0.539 . . . . 25.0 111.409 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -92.94 159.91 15.13 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.66 -26.76 68.81 Favored 'General case' 1 C--O 1.346 6.177 0 O-C-N 120.554 -1.341 . . . . 25.0 110.136 174.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.42 -40.01 77.4 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 116.504 -3.873 . . . . 25.0 111.152 172.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -76.95 -38.87 52.46 Favored 'General case' 0 C--N 1.377 1.761 0 O-C-N 118.688 -2.508 . . . . 25.0 109.428 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.72 -29.82 68.39 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.11 0.782 . . . . 25.0 113.11 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.42 -31.5 67.78 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 124.933 1.396 . . . . 25.0 112.288 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -64.86 -26.95 68.55 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.782 -1.199 . . . . 25.0 112.611 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -76.21 -11.99 60.02 Favored 'General case' 0 C--O 1.204 -1.292 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.921 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.14 -15.05 14.77 Favored 'General case' 0 C--O 1.199 -1.6 0 CA-C-O 121.59 0.71 . . . . 25.0 111.641 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 N--CA 1.507 2.409 0 CA-C-O 123.47 1.605 . . . . 25.0 114.781 -176.522 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.673 1.702 . . . . 25.0 115.298 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -83.12 129.03 38.15 Favored 'Isoleucine or valine' 0 C--N 1.374 1.641 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -123.21 -171.84 2.38 Favored 'General case' 0 CA--C 1.488 -1.423 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.0 -153.8 0.49 Allowed 'General case' 0 C--O 1.262 1.728 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 170.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -73.35 145.23 46.1 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.66 124.64 34.14 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 107.421 -1.325 . . . . 25.0 107.421 -173.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.49 -52.9 0.18 Allowed 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -175.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.531 3.625 0 C-N-CA 126.475 1.91 . . . . 25.0 113.344 179.308 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -47.9 -35.3 10.29 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 126.224 1.81 . . . . 25.0 115.436 174.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.0 -30.3 65.97 Favored 'General case' 0 C--O 1.194 -1.828 0 CA-C-N 114.44 -1.254 . . . . 25.0 110.54 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.5 -41.87 65.45 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 107.185 -1.413 . . . . 25.0 107.185 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.51 -43.25 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.272 0.558 . . . . 25.0 109.578 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.07 -38.74 92.39 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-O 121.68 0.752 . . . . 25.0 109.979 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.56 86.62 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 121.118 -0.989 . . . . 25.0 111.04 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.63 -40.64 80.21 Favored 'General case' 0 C--O 1.201 -1.454 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.95 -47.97 83.18 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-O 118.157 -0.925 . . . . 25.0 111.768 174.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.33 -38.78 90.79 Favored 'General case' 0 C--O 1.207 -1.17 0 N-CA-C 114.503 1.297 . . . . 25.0 114.503 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -81.6 -26.86 9.97 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 O-C-N 121.37 -0.831 . . . . 25.0 112.071 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.49 -24.83 17.86 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.97 -161.66 36.4 Favored Glycine 0 C--N 1.363 2.057 0 N-CA-C 110.219 -1.152 . . . . 25.0 110.219 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -91.89 25.61 2.72 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.126 1.899 . . . . 25.0 116.126 -175.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.64 -8.7 58.78 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 113.488 0.921 . . . . 25.0 113.488 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.38 161.21 36.92 Favored Glycine 0 C--O 1.25 1.119 0 C-N-CA 119.782 -1.199 . . . . 25.0 115.1 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -158.01 164.47 36.73 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.263 0.625 . . . . 25.0 109.621 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -93.49 -160.72 0.78 Allowed 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 122.355 1.074 . . . . 25.0 110.488 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.7 t80 53.61 73.99 0.34 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.73 1.752 . . . . 25.0 115.73 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.9 t -148.34 162.24 39.93 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 105.839 -1.911 . . . . 25.0 105.839 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -73.06 134.96 80.38 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 103.386 -2.82 . . . . 25.0 103.386 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.1 86.11 1.71 Allowed 'Trans proline' 0 C--O 1.259 1.538 0 CA-C-O 123.727 1.469 . . . . 25.0 114.681 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 124.921 2.296 . . . . 25.0 111.613 179.469 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.188 -2.737 0 CA-C-O 125.3 2.611 . . . . 25.0 115.258 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.8 mt -54.53 -47.91 70.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 O-C-N 119.583 -2.128 . . . . 25.0 112.815 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -83.05 -18.01 10.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 117.481 -1.247 . . . . 25.0 111.706 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.73 -31.2 70.1 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 124.907 1.38 . . . . 25.0 108.659 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.65 -27.93 14.57 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.6 m -115.59 -4.46 12.24 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 121.274 3.805 . . . . 25.0 121.274 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 t -77.54 -16.05 58.89 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 123.301 1.524 . . . . 25.0 107.458 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -120.4 161.86 20.48 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 102.233 -3.247 . . . . 25.0 102.233 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 m 61.73 -160.63 0.3 Allowed 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 123.803 0.841 . . . . 25.0 110.603 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mm -127.54 120.05 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.1 m -117.5 156.81 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.902 -0.59 . . . . 25.0 109.497 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.4 m -135.0 175.95 9.11 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 105.66 -1.978 . . . . 25.0 105.66 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.98 -26.75 38.88 Favored 'General case' 1 C--O 1.351 6.441 0 C-N-CA 127.378 2.271 . . . . 25.0 111.608 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -53.34 -51.49 62.24 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 117.478 -3.264 . . . . 25.0 111.811 169.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -77.29 -33.29 55.75 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.477 -1.389 . . . . 25.0 111.252 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.66 -31.65 70.87 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 123.204 0.315 . . . . 25.0 111.396 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.46 -28.65 60.19 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.197 1.184 . . . . 25.0 114.197 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -68.63 -16.86 63.98 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 116.283 -0.417 . . . . 25.0 111.799 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -94.25 5.06 52.93 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.988 0.915 . . . . 25.0 111.151 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.0 m -80.08 4.13 18.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.478 1.132 . . . . 25.0 110.109 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 . . . . . 0 CA--C 1.563 1.446 0 CA-C-O 126.751 3.167 . . . . 25.0 109.508 174.862 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.206 -1.214 0 CA-C-O 124.91 2.29 . . . . 25.0 116.302 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 t -121.87 127.26 75.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 113.747 -1.569 . . . . 25.0 110.098 -172.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -67.25 97.35 0.54 Allowed 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.04 -176.69 6.12 Favored 'General case' 0 CA--C 1.57 1.713 0 O-C-N 124.471 1.107 . . . . 25.0 110.324 -176.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.67 78.55 6.23 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.497 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.96 112.26 1.6 Allowed 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.278 0.631 . . . . 25.0 112.484 -174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t -142.79 178.45 7.64 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 114.792 -1.094 . . . . 25.0 109.69 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.288 0 O-C-N 125.724 1.89 . . . . 25.0 110.525 175.325 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t -51.49 -35.6 40.93 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 119.601 -1.937 . . . . 25.0 113.266 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -67.03 -41.68 86.17 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.728 -0.789 . . . . 25.0 110.554 -174.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.61 -44.02 91.91 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 115.137 -0.938 . . . . 25.0 110.342 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.13 -46.54 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -64.57 -44.07 91.88 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.056 0.455 . . . . 25.0 111.421 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.97 83.18 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-O 121.582 0.706 . . . . 25.0 111.954 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.9 -44.88 94.0 Favored 'General case' 0 CA--C 1.575 1.909 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.8 -41.71 91.81 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 118.403 0.547 . . . . 25.0 110.561 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.55 -46.87 77.84 Favored 'General case' 0 C--O 1.247 0.964 0 C-N-CA 120.466 -0.494 . . . . 25.0 111.052 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -75.82 -36.98 34.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 C-N-CA 119.284 -0.967 . . . . 25.0 112.093 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -21.42 51.86 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 122.274 1.035 . . . . 25.0 113.044 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.35 176.27 50.52 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 122.228 0.905 . . . . 25.0 111.955 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.88 7.89 1.04 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 118.777 -0.63 . . . . 25.0 111.836 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -67.32 -32.22 73.04 Favored 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 106.12 -1.808 . . . . 25.0 106.12 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.86 148.49 9.8 Favored Glycine 0 C--O 1.202 -1.862 0 N-CA-C 117.019 1.568 . . . . 25.0 117.019 172.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.413 ' C ' ' H ' ' B' ' 26' ' ' TYR . 26.7 p90 -109.74 -16.73 13.84 Favored 'General case' 0 C--O 1.199 -1.582 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -88.77 23.19 2.39 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 122.738 1.256 . . . . 25.0 108.244 175.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.413 ' H ' ' C ' ' B' ' 24' ' ' PHE . 39.8 t80 -67.0 -29.69 69.6 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 105.352 -2.092 . . . . 25.0 105.352 176.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -111.21 83.38 1.76 Allowed 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.122 -1.066 . . . . 25.0 108.122 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -66.05 145.9 99.01 Favored Pre-proline 0 N--CA 1.498 1.934 0 C-N-CA 120.251 -0.579 . . . . 25.0 110.807 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -69.12 98.31 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 116.531 -1.846 . . . . 25.0 111.855 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 125.08 2.372 . . . . 25.0 111.697 -178.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.626 0 CA-C-O 124.407 2.115 . . . . 25.0 115.531 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 2' ' ' ILE . 14.8 mt -60.7 -38.07 77.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 113.801 -1.2 . . . . 25.0 109.485 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.68 -33.03 43.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.48 -0.888 . . . . 25.0 111.001 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.61 -39.46 93.76 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.49 -0.756 . . . . 25.0 108.967 173.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.11 -34.75 79.13 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 122.027 0.917 . . . . 25.0 111.94 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -42.31 83.7 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.235 -0.915 . . . . 25.0 111.221 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.09 -26.62 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 115.085 1.513 . . . . 25.0 115.085 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -89.37 -10.13 47.76 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.512 -0.742 . . . . 25.0 111.584 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.9 t -122.03 -161.73 0.95 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.02 120.82 60.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HB2' HD12 ' B' ' 6' ' ' LEU . 72.1 m -74.47 155.76 37.66 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.331 -0.856 . . . . 25.0 111.412 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 m -137.42 157.92 45.53 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 13' ' ' LEU . 6.3 mp -52.84 -38.58 61.62 Favored 'General case' 1 C--O 1.335 5.556 0 C-N-CA 124.396 1.078 . . . . 25.0 112.329 -171.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.76 -44.24 96.71 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 118.091 -2.881 . . . . 25.0 114.983 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -70.11 -38.22 75.55 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 119.933 -1.73 . . . . 25.0 108.296 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB3' HG11 ' B' ' 18' ' ' VAL . 16.0 mt -55.92 -35.1 66.24 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.064 0.852 . . . . 25.0 112.546 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.89 -29.53 20.25 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 114.037 1.125 . . . . 25.0 114.037 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -64.57 -21.42 66.69 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.312 0.506 . . . . 25.0 112.294 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.11 -6.66 50.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 110.011 -0.366 . . . . 25.0 110.011 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.62 -5.51 45.56 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 107.91 -1.144 . . . . 25.0 107.91 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.1 t30 . . . . . 0 C--O 1.2 -1.524 0 CA-C-O 123.659 1.695 . . . . 25.0 111.749 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 122.81 1.29 . . . . 25.0 114.349 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 91.1 t -111.2 130.59 64.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 104.884 -2.265 . . . . 25.0 104.884 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -133.35 -155.34 0.67 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 106.374 -1.713 . . . . 25.0 106.374 -173.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.66 -166.69 1.31 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -64.33 131.83 48.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 11' ' ' CYS . 39.4 mt -115.82 108.84 16.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.155 0.502 . . . . 25.0 111.7 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.98 170.05 16.43 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 106.711 -1.589 . . . . 25.0 106.711 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.365 0 C-N-CA 126.58 1.952 . . . . 25.0 110.158 -175.198 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.9 p -52.86 -28.64 23.93 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 124.628 1.171 . . . . 25.0 112.485 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -68.48 -39.54 81.33 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.267 -0.895 . . . . 25.0 111.583 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.55 -39.5 88.58 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.45 -40.4 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.264 0.554 . . . . 25.0 110.289 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -61.8 -43.45 98.83 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.76 -0.587 . . . . 25.0 111.029 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.156 -0.34 . . . . 25.0 111.231 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.65 -44.37 94.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.257 1.027 . . . . 25.0 110.672 173.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -63.01 -41.4 99.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.919 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -63.98 -41.6 97.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.411 HG11 ' HB3' ' A' ' 16' ' ' LEU . 4.9 p -72.87 -29.0 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 121.145 -0.972 . . . . 25.0 111.293 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -35.0 36.85 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 174.68 17.46 Favored Glycine 0 N--CA 1.452 -0.238 0 N-CA-C 111.357 -0.697 . . . . 25.0 111.357 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.63 -18.08 61.58 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -9.96 59.72 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 121.347 -0.846 . . . . 25.0 112.236 177.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.2 -178.83 49.46 Favored Glycine 0 N--CA 1.466 0.694 0 CA-C-O 119.009 -0.884 . . . . 25.0 111.428 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.94 -37.62 10.13 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-O 122.08 0.943 . . . . 25.0 109.676 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -156.01 158.88 38.59 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -67.03 -48.62 67.79 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.122 -1.066 . . . . 25.0 108.122 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.49 101.07 11.15 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.108 -1.071 . . . . 25.0 108.108 176.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -82.8 115.81 60.6 Favored Pre-proline 0 N--CA 1.482 1.174 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.025 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -79.19 85.79 1.8 Allowed 'Trans proline' 0 CA--C 1.535 0.564 0 CA-C-O 122.872 1.113 . . . . 25.0 113.541 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 C--O 1.208 -1.088 0 O-C-N 119.203 -2.186 . . . . 25.0 113.762 -179.794 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' HA2' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 1 N--CA 1.519 4.211 0 CA-C-O 123.267 1.481 . . . . 25.0 114.708 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.79 -41.27 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 113.671 -1.264 . . . . 25.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.35 -32.83 54.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' OE1' ' HA2' ' A' ' 1' ' ' GLY . 36.9 mt-10 -66.65 -45.51 78.76 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -66.67 -46.11 76.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.062 1.134 . . . . 25.0 114.062 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -29.29 67.22 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 115.183 1.549 . . . . 25.0 115.183 -174.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.24 -13.06 61.43 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 118.13 -0.938 . . . . 25.0 110.807 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -123.46 -22.27 5.09 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.532 0.605 . . . . 25.0 110.697 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -122.44 165.87 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.192 -0.603 . . . . 25.0 109.605 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -79.46 131.61 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -96.22 152.24 18.75 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.371 1.045 . . . . 25.0 108.495 171.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -140.07 160.0 40.91 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 105.131 -2.174 . . . . 25.0 105.131 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.01 -32.81 68.29 Favored 'General case' 1 C--O 1.328 5.208 0 C-N-CA 117.884 -1.526 . . . . 25.0 111.276 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.53 -44.78 95.71 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.682 -2.511 . . . . 25.0 112.229 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.98 -45.89 91.64 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 123.903 0.752 . . . . 25.0 112.517 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.26 -29.66 68.94 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.3 -28.98 65.5 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 114.597 1.332 . . . . 25.0 114.597 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.14 -19.56 64.82 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 120.798 -1.189 . . . . 25.0 113.352 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -98.5 -1.46 41.15 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -83.85 -17.41 41.02 Favored 'General case' 0 C--O 1.184 -2.373 0 CA-C-O 122.608 1.194 . . . . 25.0 109.468 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 C--O 1.208 -1.12 0 C-N-CA 126.787 2.035 . . . . 25.0 116.493 -176.16 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 123.847 1.784 . . . . 25.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.9 t -79.52 119.2 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 O-C-N 118.685 -2.509 . . . . 25.0 109.979 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -80.97 128.73 34.02 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -156.54 -155.77 0.56 Allowed 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -81.08 76.59 8.02 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.522 1.153 . . . . 25.0 108.643 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.81 66.67 4.35 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 113.6 -1.636 . . . . 25.0 110.487 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.38 -170.58 2.79 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 113.808 -1.542 . . . . 25.0 109.839 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.88 0 CA-C-N 113.327 -1.76 . . . . 25.0 110.528 177.022 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -67.41 -28.6 68.05 Favored 'General case' 0 C--N 1.376 1.724 0 O-C-N 120.29 -1.506 . . . . 25.0 111.804 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -58.19 -28.35 64.7 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.391 -0.814 . . . . 25.0 111.309 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.4 -47.42 86.16 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 118.372 0.533 . . . . 25.0 111.46 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.8 -43.49 93.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.629 -1.169 . . . . 25.0 108.363 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.72 -45.42 89.62 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -36.1 80.13 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.199 -1.038 . . . . 25.0 108.199 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.0 tp -70.02 -41.46 74.25 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.396 1.093 . . . . 25.0 111.898 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.67 -38.18 89.35 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 120.631 -1.293 . . . . 25.0 111.668 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.55 -50.34 65.55 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 121.897 -0.502 . . . . 25.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.06 -35.87 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 117.929 -1.508 . . . . 25.0 112.923 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.24 -18.21 34.68 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.49 167.66 42.8 Favored Glycine 0 C--O 1.202 -1.879 0 O-C-N 120.155 -1.591 . . . . 25.0 111.644 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -68.76 -16.44 63.8 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-O 121.119 0.485 . . . . 25.0 111.347 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.55 16.67 25.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 178.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.39 -151.31 3.7 Favored Glycine 0 N--CA 1.48 1.568 0 N-CA-C 116.28 1.272 . . . . 25.0 116.28 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.55 163.69 5.15 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 121.007 0.432 . . . . 25.0 111.012 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -128.94 156.68 43.37 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.524 -0.735 . . . . 25.0 109.29 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.99 32.12 6.1 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.492 0.663 . . . . 25.0 110.082 173.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 157.99 43.82 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -174.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -127.26 86.92 57.62 Favored Pre-proline 0 C--O 1.216 -0.678 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.39 97.8 0.62 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 CA-C-O 122.197 0.832 . . . . 25.0 113.613 173.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 O-C-N 119.204 -2.185 . . . . 25.0 112.118 -174.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.12 0 CA-C-O 123.161 1.423 . . . . 25.0 116.351 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -52.63 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 114.641 -0.78 . . . . 25.0 110.464 -178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.24 -33.56 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-N 115.534 -0.757 . . . . 25.0 111.411 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.49 -38.08 89.77 Favored 'General case' 0 C--O 1.245 0.866 0 O-C-N 124.076 0.86 . . . . 25.0 110.451 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.62 -46.48 31.38 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 118.366 -0.826 . . . . 25.0 112.941 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.54 -16.14 27.65 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 116.916 2.191 . . . . 25.0 116.916 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 t -87.1 -13.68 43.52 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-N 119.074 0.852 . . . . 25.0 110.589 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -102.94 152.15 21.63 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 106.212 -1.773 . . . . 25.0 106.212 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m 47.94 -155.98 0.06 Allowed 'General case' 0 C--O 1.243 0.73 0 O-C-N 124.412 1.07 . . . . 25.0 110.486 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.4 mm -126.95 111.26 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 CA-C-O 118.726 -0.654 . . . . 25.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -90.02 161.86 15.64 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-O 122.629 1.204 . . . . 25.0 110.311 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -104.2 158.19 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.868 1.433 . . . . 25.0 114.868 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.37 -28.43 69.76 Favored 'General case' 1 C--O 1.371 7.49 0 O-C-N 118.586 -2.571 . . . . 25.0 111.191 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -59.36 -41.77 90.03 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 116.239 -4.038 . . . . 25.0 110.124 174.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -70.28 -41.96 72.71 Favored 'General case' 0 C--O 1.196 -1.759 0 CA-C-N 114.64 -1.164 . . . . 25.0 109.106 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.69 -38.06 69.17 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 118.513 0.597 . . . . 25.0 110.849 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.12 -16.03 49.6 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 115.519 1.674 . . . . 25.0 115.519 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -70.21 -25.46 63.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 118.497 -0.764 . . . . 25.0 111.686 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -84.92 9.29 14.81 Favored 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 124.904 1.377 . . . . 25.0 109.182 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 t -141.36 -171.11 3.22 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 121.418 -0.801 . . . . 25.0 111.117 -176.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 . . . . . 0 C--N 1.352 0.693 0 CA-C-O 125.643 2.64 . . . . 25.0 110.022 171.765 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 N--CA 1.506 2.326 0 N-CA-C 115.685 1.735 . . . . 25.0 115.685 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.0 118.55 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -77.23 160.89 28.58 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.606 -0.684 . . . . 25.0 111.802 -172.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.87 -174.68 3.2 Favored 'General case' 0 C--O 1.205 -1.277 0 N-CA-C 105.024 -2.213 . . . . 25.0 105.024 169.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -58.35 146.03 36.01 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 119.277 -0.969 . . . . 25.0 108.653 172.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.39 131.29 12.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.219 0.533 . . . . 25.0 109.891 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.05 -66.42 1.04 Allowed 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.088 -1.449 . . . . 25.0 107.088 -173.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.616 3.482 0 CA-C-N 111.696 -2.502 . . . . 25.0 112.544 -172.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.4 t -55.75 -26.79 47.46 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 126.705 2.002 . . . . 25.0 113.964 -175.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -57.04 -36.54 70.61 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.192 -0.943 . . . . 25.0 111.954 174.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.08 -40.1 94.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 118.349 0.522 . . . . 25.0 111.029 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.5 t -72.21 -38.63 62.87 Favored 'Isoleucine or valine' 0 C--O 1.264 1.833 0 N-CA-C 107.466 -1.309 . . . . 25.0 107.466 -176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.62 -44.7 89.71 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.405 0.441 . . . . 25.0 109.821 177.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.61 96.87 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -45.98 90.48 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 118.608 0.64 . . . . 25.0 111.699 178.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -58.51 -46.1 87.44 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.723 -0.611 . . . . 25.0 112.399 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.28 -46.98 75.13 Favored 'General case' 0 CA--C 1.521 -0.155 0 O-C-N 123.86 0.725 . . . . 25.0 110.685 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.16 -31.66 45.16 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.558 0 CA-C-O 121.41 0.624 . . . . 25.0 112.539 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.84 -35.84 14.56 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 120.89 -1.132 . . . . 25.0 113.828 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.59 -174.08 34.47 Favored Glycine 0 N--CA 1.428 -1.857 0 CA-C-O 122.524 1.069 . . . . 25.0 112.102 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -70.97 -0.18 8.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.519 1.303 . . . . 25.0 114.519 -168.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -33.99 77.15 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.9 160.77 36.84 Favored Glycine 0 C--O 1.193 -2.453 0 C-N-CA 120.376 -0.916 . . . . 25.0 114.116 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -126.49 -1.96 6.82 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 124.815 1.246 . . . . 25.0 110.272 -176.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -66.95 157.11 34.13 Favored 'General case' 0 C--O 1.273 2.298 0 N-CA-C 113.852 1.056 . . . . 25.0 113.852 -171.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -120.97 114.5 21.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 117.421 -1.276 . . . . 25.0 112.129 172.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.8 p 68.06 146.1 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.206 1.402 . . . . 25.0 111.736 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -76.75 119.67 78.4 Favored Pre-proline 0 N--CA 1.481 1.098 0 O-C-N 120.436 -1.415 . . . . 25.0 110.338 -167.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -82.11 73.23 5.78 Favored 'Trans proline' 0 C--O 1.205 -1.143 0 C-N-CA 121.808 1.672 . . . . 25.0 110.48 175.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.313 -1.006 0 CA-C-O 124.648 2.166 . . . . 25.0 112.639 -177.902 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.568 0 CA-C-O 125.206 2.559 . . . . 25.0 116.457 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 mt -63.38 -32.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 119.483 -2.186 . . . . 25.0 108.464 172.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.53 -36.87 76.02 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.983 0 O-C-N 121.095 -1.003 . . . . 25.0 111.005 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.64 -38.69 73.9 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -62.18 -37.67 86.16 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-O 121.75 0.786 . . . . 25.0 110.727 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.2 t -70.47 -41.87 72.18 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.663 -0.699 . . . . 25.0 109.675 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.1 -32.4 73.84 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 119.476 -0.89 . . . . 25.0 111.396 -176.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -75.61 -7.46 54.31 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.23 -1.544 . . . . 25.0 109.028 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -116.79 -161.54 0.81 Allowed 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 172.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.2 mm -113.21 116.91 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.19 142.19 38.12 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.361 1.077 . . . . 25.0 109.53 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 m -119.9 159.28 24.97 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.184 -0.948 . . . . 25.0 109.182 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.99 -40.56 85.24 Favored 'General case' 1 C--O 1.334 5.514 0 C-N-CA 123.812 0.845 . . . . 25.0 111.984 -175.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -56.1 -40.33 73.51 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.826 -2.421 . . . . 25.0 112.551 174.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.3 -44.48 62.67 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.15 -30.84 66.67 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 113.801 -1.545 . . . . 25.0 111.141 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.43 -29.45 67.77 Favored 'General case' 0 C--O 1.193 -1.896 0 N-CA-C 115.341 1.608 . . . . 25.0 115.341 175.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.65 -19.2 62.82 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 119.519 -0.872 . . . . 25.0 111.124 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -79.43 -15.57 57.6 Favored 'General case' 0 C--O 1.206 -1.215 0 C-N-CA 118.869 -1.132 . . . . 25.0 111.06 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.51 154.88 22.43 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 122.042 0.925 . . . . 25.0 108.57 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 C--O 1.197 -1.675 0 CA-C-O 125.817 2.722 . . . . 25.0 110.686 178.351 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 124.041 1.877 . . . . 25.0 113.819 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.426 HG12 ' H ' ' B' ' 4' ' ' GLN . 64.3 t -104.81 123.23 58.72 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 114.208 -1.36 . . . . 25.0 108.657 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -78.72 0.46 26.64 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 116.797 2.147 . . . . 25.0 116.797 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.426 ' H ' HG12 ' B' ' 2' ' ' VAL . 7.5 mp0 -76.49 -172.39 2.15 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.381 -1.34 . . . . 25.0 107.381 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -66.98 119.09 11.38 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.381 1.086 . . . . 25.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -84.19 125.08 31.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.437 -1.32 . . . . 25.0 107.437 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.0 175.18 10.64 Favored 'General case' 0 C--O 1.262 1.736 0 N-CA-C 102.231 -3.248 . . . . 25.0 102.231 177.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.423 0 C-N-CA 127.392 2.277 . . . . 25.0 113.054 177.053 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -50.35 -42.07 52.57 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.184 -1.573 . . . . 25.0 113.922 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -61.49 -43.43 98.88 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.285 -0.884 . . . . 25.0 112.013 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.63 -45.36 87.17 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.465 -1.243 . . . . 25.0 108.876 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.63 -44.74 79.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.029 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 -173.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -60.86 -46.78 89.23 Favored 'General case' 0 C--N 1.311 -1.099 0 O-C-N 121.815 -0.553 . . . . 25.0 111.298 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.48 88.99 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 122.029 -0.419 . . . . 25.0 111.823 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.28 -47.31 82.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.227 -0.897 . . . . 25.0 109.717 174.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.3 -35.8 80.2 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.979 -1.076 . . . . 25.0 110.502 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.79 -49.54 77.07 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.229 0.33 . . . . 25.0 110.847 174.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.56 -25.26 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 25.0 112.56 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -86.69 -29.79 22.19 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.014 -1.054 . . . . 25.0 112.914 177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 176.08 31.11 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 120.695 -1.253 . . . . 25.0 111.758 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.7 -16.91 62.3 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.209 -0.996 . . . . 25.0 113.542 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -20.71 66.19 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 124.205 0.941 . . . . 25.0 112.139 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 165.43 39.29 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-O 118.502 -1.166 . . . . 25.0 111.442 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -107.03 -53.38 2.62 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 124.415 0.715 . . . . 25.0 111.037 -177.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -152.59 170.05 21.15 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 120.753 -1.217 . . . . 25.0 108.509 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -71.91 -160.76 0.06 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.343 -1.299 . . . . 25.0 112.728 171.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 31.7 p -102.36 94.88 5.93 Favored 'General case' 0 C--O 1.193 -1.896 0 O-C-N 121.192 -0.942 . . . . 25.0 113.039 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -115.3 159.99 35.98 Favored Pre-proline 0 C--O 1.21 -1.017 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.58 98.43 1.21 Allowed 'Trans proline' 0 C--O 1.204 -1.194 0 C-N-CA 115.492 -2.539 . . . . 25.0 114.556 170.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.395 0 CA-C-O 126.224 2.916 . . . . 25.0 113.54 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.589 0 CA-C-O 126.233 3.13 . . . . 25.0 116.386 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 mt -71.18 -42.2 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 112.023 -2.088 . . . . 25.0 109.162 -177.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 p -64.07 -38.3 82.07 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.967 0 N-CA-C 108.199 -1.037 . . . . 25.0 108.199 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.83 -50.11 74.74 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 123.179 0.299 . . . . 25.0 110.915 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -69.66 -40.41 76.47 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.86 -27.15 14.42 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 119.299 3.074 . . . . 25.0 119.299 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.1 -29.69 70.06 Favored 'General case' 0 C--O 1.254 1.325 0 O-C-N 120.353 -1.467 . . . . 25.0 109.459 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 t -85.21 -0.84 55.91 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 122.822 1.296 . . . . 25.0 111.07 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -136.66 -162.6 1.3 Allowed 'General case' 0 C--O 1.247 0.948 0 N-CA-C 106.835 -1.543 . . . . 25.0 106.835 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -108.31 -37.58 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-O 121.831 0.824 . . . . 25.0 112.928 176.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 m 56.87 -159.94 0.23 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.932 0.893 . . . . 25.0 112.898 -176.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.9 p -155.94 160.33 40.01 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 123.149 1.452 . . . . 25.0 109.101 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.57 -28.29 69.24 Favored 'General case' 1 C--O 1.338 5.754 0 O-C-N 120.687 -1.258 . . . . 25.0 107.981 172.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.0 -41.09 91.5 Favored 'General case' 0 C--O 1.209 -1.071 1 O-C-N 114.914 -4.866 . . . . 25.0 112.892 175.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.96 -43.09 75.71 Favored 'General case' 0 C--N 1.311 -1.092 0 O-C-N 120.286 -1.509 . . . . 25.0 109.081 175.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -58.41 -33.84 70.11 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.838 0.711 . . . . 25.0 112.151 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.25 -17.83 13.47 Favored 'General case' 0 C--O 1.199 -1.587 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -71.59 -19.78 62.09 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.276 -0.869 . . . . 25.0 111.472 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.05 -9.43 48.54 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 119.417 1.008 . . . . 25.0 108.824 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -88.44 131.88 34.7 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 124.628 1.205 . . . . 25.0 113.946 -175.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--N 1.295 -1.779 0 CA-C-O 123.753 1.739 . . . . 25.0 112.109 176.685 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 N--CA 1.517 2.923 0 CA-C-O 122.34 1.067 . . . . 25.0 112.57 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.82 140.52 36.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-N 115.199 -0.91 . . . . 25.0 110.207 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.17 124.9 38.48 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.764 0.792 . . . . 25.0 109.306 -175.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -133.27 -171.11 2.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 102.284 -3.228 . . . . 25.0 102.284 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -58.42 145.48 38.38 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 176.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.7 mt -116.5 100.56 7.94 Favored 'General case' 0 C--O 1.252 1.186 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.5 m -117.0 164.02 15.34 Favored 'General case' 0 N--CA 1.438 -1.055 0 O-C-N 124.519 1.137 . . . . 25.0 111.008 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.588 2.442 0 C-N-CA 129.018 2.927 . . . . 25.0 113.35 176.163 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -52.44 -42.4 64.11 Favored 'General case' 0 C--N 1.394 2.537 0 O-C-N 120.836 -1.165 . . . . 25.0 112.612 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -66.39 -35.59 80.72 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 117.606 -1.188 . . . . 25.0 109.211 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.8 tp -59.71 -46.16 89.95 Favored 'General case' 0 C--O 1.202 -1.434 0 O-C-N 124.233 0.958 . . . . 25.0 110.587 173.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.98 -44.65 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-O 121.582 0.706 . . . . 25.0 111.269 176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.57 -42.45 92.49 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 120.795 -1.191 . . . . 25.0 110.838 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.21 93.95 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 118.819 0.736 . . . . 25.0 112.22 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.56 -42.77 99.33 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 121.71 0.767 . . . . 25.0 110.601 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -67.69 -45.4 75.25 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.096 -0.956 . . . . 25.0 110.554 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.96 -41.22 87.26 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 115.71 1.745 . . . . 25.0 115.71 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.33 -37.0 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 122.214 1.007 . . . . 25.0 111.629 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.3 t -77.92 -38.88 44.53 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 113.686 0.995 . . . . 25.0 113.686 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.9 -145.6 17.79 Favored Glycine 0 C--O 1.265 2.071 0 N-CA-C 109.43 -1.468 . . . . 25.0 109.43 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -95.65 4.87 52.66 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 117.658 0.729 . . . . 25.0 111.318 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -73.04 -20.94 60.89 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 115.446 1.647 . . . . 25.0 115.446 -176.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 144.18 14.16 Favored Glycine 0 C--O 1.22 -0.753 0 O-C-N 121.182 -0.949 . . . . 25.0 113.397 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -134.13 162.07 33.12 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 118.825 1.313 . . . . 25.0 108.458 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -121.8 -178.96 3.97 Favored 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 114.571 1.323 . . . . 25.0 114.571 -172.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 67.42 15.2 9.84 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 125.367 1.467 . . . . 25.0 113.32 -176.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.78 152.23 31.39 Favored 'General case' 0 N--CA 1.447 -0.595 1 N-CA-C 100.162 -4.014 . . . . 25.0 100.162 175.486 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -116.94 154.84 49.72 Favored Pre-proline 0 C--O 1.239 0.522 0 O-C-N 124.267 0.979 . . . . 25.0 109.803 -175.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.7 82.9 2.29 Favored 'Trans proline' 0 C--O 1.203 -1.264 0 C-N-CA 121.542 1.495 . . . . 25.0 114.426 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.188 -2.149 0 CA-C-O 124.339 2.019 . . . . 25.0 111.985 179.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.468 -2.904 0 CA-C-O 127.316 3.731 . . . . 25.0 112.903 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.406 HG13 ' H ' ' A' ' 2' ' ' ILE . 16.0 mt -53.73 -51.97 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 110.756 -2.722 . . . . 25.0 111.784 -173.008 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.54 -35.18 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 O-C-N 121.584 -0.697 . . . . 25.0 111.057 -177.28 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.22 -37.56 85.85 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 117.987 -1.006 . . . . 25.0 110.107 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -85.75 -36.2 20.29 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 119.992 1.269 . . . . 25.0 110.037 -174.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.1 m -117.67 -17.07 10.01 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 118.337 2.718 . . . . 25.0 118.337 -167.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.62 -48.74 5.68 Favored 'General case' 0 C--O 1.206 -1.218 0 C-N-CA 119.669 -0.812 . . . . 25.0 112.172 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -72.09 -12.97 61.45 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 120.228 -1.545 . . . . 25.0 109.139 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -128.05 -177.8 4.28 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.3 119.59 35.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 118.656 0.662 . . . . 25.0 110.664 175.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t -86.75 166.63 15.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.0 m -144.11 152.24 40.67 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.832 0.825 . . . . 25.0 113.11 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.95 -29.97 68.77 Favored 'General case' 1 C--O 1.323 4.933 0 CA-C-O 122.664 1.221 . . . . 25.0 112.404 178.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -65.52 -40.88 93.48 Favored 'General case' 0 C--O 1.19 -2.063 1 O-C-N 115.493 -4.504 . . . . 25.0 116.077 172.504 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.07 -36.77 75.21 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 112.584 -2.098 . . . . 25.0 106.563 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.26 -32.71 73.45 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -59.32 -27.08 65.56 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 122.004 -0.435 . . . . 25.0 111.706 176.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -69.71 -13.37 62.26 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 113.872 1.064 . . . . 25.0 113.872 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -91.08 2.34 56.4 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.941 0.877 . . . . 25.0 108.834 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -138.48 -84.06 0.29 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.277 -0.874 . . . . 25.0 108.981 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 N--CA 1.425 -1.692 0 CA-C-O 126.869 3.223 . . . . 25.0 114.753 175.714 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 127.088 3.328 . . . . 25.0 119.673 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.2 t -77.79 119.08 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 112.979 -1.918 . . . . 25.0 108.109 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -85.6 88.22 7.5 Favored 'General case' 0 C--O 1.199 -1.581 0 O-C-N 121.295 -0.878 . . . . 25.0 109.461 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -136.65 -153.42 0.49 Allowed 'General case' 0 CA--C 1.571 1.78 0 CA-C-N 114.781 -1.099 . . . . 25.0 108.427 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -69.89 91.95 0.68 Allowed 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.559 -1.338 . . . . 25.0 109.679 172.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.9 111.29 18.65 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.401 -1.333 . . . . 25.0 107.401 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 m -129.3 174.24 9.79 Favored 'General case' 0 C--O 1.262 1.722 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.455 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 2.756 0 C-N-CA 125.356 1.463 . . . . 25.0 111.048 177.467 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.5 p -67.94 -10.22 51.56 Favored 'General case' 0 C--O 1.257 1.494 0 O-C-N 120.909 -1.12 . . . . 25.0 112.335 179.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -63.47 -43.69 96.61 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 118.114 -1.434 . . . . 25.0 113.087 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.63 -41.68 98.24 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 114.157 -1.383 . . . . 25.0 109.517 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.08 -43.36 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 -177.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.08 -41.7 99.48 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 179.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.52 98.45 Favored 'General case' 0 CA--C 1.558 1.285 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.75 -44.61 92.95 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.311 -0.852 . . . . 25.0 109.949 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.95 -38.46 82.5 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-N 119.521 1.055 . . . . 25.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.98 -41.92 77.22 Favored 'General case' 0 C--O 1.207 -1.132 0 CA-C-N 115.187 -0.915 . . . . 25.0 110.685 -177.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.93 -32.89 15.75 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.677 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 -177.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 22.5 t -81.74 -34.78 30.32 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.383 -177.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.1 168.58 13.54 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 114.222 0.449 . . . . 25.0 114.222 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -2.64 15.45 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 119.687 -2.067 . . . . 25.0 110.704 -177.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -3.6 58.6 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 123.967 0.792 . . . . 25.0 109.845 -176.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.91 -173.14 48.69 Favored Glycine 0 CA--C 1.49 -1.483 0 N-CA-C 107.667 -2.173 . . . . 25.0 107.667 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.16 -26.45 2.85 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 115.501 1.667 . . . . 25.0 115.501 -175.293 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -161.56 -166.24 1.46 Allowed 'General case' 0 C--O 1.208 -1.129 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -169.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 t80 63.96 58.98 1.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.186 1.394 . . . . 25.0 110.754 -177.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.28 83.54 1.68 Allowed 'General case' 0 C--O 1.246 0.909 0 N-CA-C 106.413 -1.699 . . . . 25.0 106.413 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -62.14 131.04 93.34 Favored Pre-proline 0 C--O 1.245 0.859 0 N-CA-C 115.275 1.583 . . . . 25.0 115.275 -169.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -78.65 92.75 1.12 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 CA-C-O 122.265 0.86 . . . . 25.0 113.34 176.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.211 -0.938 0 CA-C-O 126.474 3.035 . . . . 25.0 110.64 177.91 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.514 3.881 0 CA-C-O 127.398 3.777 . . . . 25.0 113.602 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 mt -65.49 -26.44 39.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 111.36 -2.42 . . . . 25.0 106.156 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.3 m -64.38 -38.31 82.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 121.508 -0.745 . . . . 25.0 109.984 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -77.04 -28.48 54.85 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 178.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -69.48 -37.14 77.12 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 107.191 -1.411 . . . . 25.0 107.191 178.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.98 -38.41 69.72 Favored 'General case' 0 C--O 1.195 -1.789 0 C-N-CA 122.854 0.462 . . . . 25.0 111.921 178.087 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -57.13 -40.39 77.06 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.491 1.116 . . . . 25.0 112.744 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -83.83 -6.3 59.4 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 122.75 1.262 . . . . 25.0 110.067 -178.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 t -118.98 -156.4 0.65 Allowed 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.058 -0.974 . . . . 25.0 109.707 179.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.09 121.76 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 N-CA-C 102.652 -3.092 . . . . 25.0 102.652 174.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.75 140.36 29.6 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.021 -0.991 . . . . 25.0 110.156 -176.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.6 p -96.02 155.24 16.84 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -58.11 -33.73 69.44 Favored 'General case' 1 C--O 1.339 5.811 0 O-C-N 118.766 -2.459 . . . . 25.0 111.366 174.415 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.26 -50.67 66.69 Favored 'General case' 0 C--O 1.202 -1.416 1 O-C-N 115.643 -4.411 . . . . 25.0 110.785 174.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.23 -40.76 96.71 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 121.102 -0.999 . . . . 25.0 111.505 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -34.58 69.45 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 118.944 0.793 . . . . 25.0 111.698 179.5 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.12 -17.93 65.03 Favored 'General case' 0 CA--C 1.484 -1.578 0 N-CA-C 114.973 1.472 . . . . 25.0 114.973 179.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -15.72 62.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 120.038 -0.665 . . . . 25.0 111.932 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -87.73 -8.6 55.84 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 119.34 -0.944 . . . . 25.0 110.177 174.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.92 -148.88 0.41 Allowed 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 -174.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 126.998 3.285 . . . . 25.0 111.642 -179.091 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 114.904 1.446 . . . . 25.0 114.904 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -114.98 154.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -103.43 11.8 36.05 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.519 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.26 -156.88 0.6 Allowed 'General case' 0 C--O 1.256 1.423 0 C-N-CA 122.791 0.436 . . . . 25.0 110.297 -176.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -57.81 147.52 28.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.063 1.134 . . . . 25.0 114.063 -178.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.1 mt -126.8 99.03 5.59 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 122.219 1.009 . . . . 25.0 109.291 172.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -130.55 161.61 31.12 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 114.522 -1.217 . . . . 25.0 111.818 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.586 2.359 0 O-C-N 126.148 2.155 . . . . 25.0 110.224 173.365 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -48.51 -39.1 22.06 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.79 -1.194 . . . . 25.0 113.376 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -70.84 -37.38 73.15 Favored 'General case' 0 C--O 1.195 -1.795 0 O-C-N 120.175 -1.578 . . . . 25.0 111.068 -175.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.44 -43.21 67.14 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 106.402 -1.703 . . . . 25.0 106.402 -175.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.62 -44.42 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.585 178.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.71 -42.45 86.35 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 117.904 -1.518 . . . . 25.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.45 -33.22 72.24 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 179.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.87 -37.2 48.72 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 115.566 -0.743 . . . . 25.0 111.879 -178.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.69 -43.62 96.08 Favored 'General case' 0 C--O 1.275 2.432 0 CA-C-O 117.954 -1.022 . . . . 25.0 109.353 172.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.65 -44.66 89.74 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.665 1.228 . . . . 25.0 113.762 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 p -72.21 -29.61 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 119.802 -0.759 . . . . 25.0 111.687 -178.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.4 m -77.12 -37.72 53.57 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 118.761 -1.176 . . . . 25.0 110.866 178.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.09 -178.36 18.22 Favored Glycine 0 C--O 1.209 -1.455 0 N-CA-C 109.379 -1.488 . . . . 25.0 109.379 -175.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -65.83 -22.75 66.57 Favored 'General case' 0 C--O 1.189 -2.083 0 CA-C-O 122.229 1.014 . . . . 25.0 113.336 -171.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -20.27 65.6 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.24 -0.891 . . . . 25.0 112.746 175.239 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.53 -153.9 52.93 Favored Glycine 0 C--O 1.203 -1.783 0 CA-C-O 122.429 1.016 . . . . 25.0 111.792 177.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -143.29 153.6 42.93 Favored 'General case' 0 C--O 1.25 1.087 0 N-CA-C 106.957 -1.498 . . . . 25.0 106.957 -175.323 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -98.4 137.72 36.69 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 122.719 1.247 . . . . 25.0 113.091 -173.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -125.09 -52.39 1.65 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 113.195 -1.82 . . . . 25.0 107.718 177.283 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -153.91 157.19 38.85 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 105.885 -1.894 . . . . 25.0 105.885 177.311 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -110.51 100.82 46.65 Favored Pre-proline 0 C--N 1.303 -1.451 0 CA-C-N 119.907 1.23 . . . . 25.0 110.246 -179.256 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -74.18 100.3 1.28 Allowed 'Trans proline' 0 CA--C 1.563 1.927 0 C-N-CA 116.866 -1.622 . . . . 25.0 113.182 175.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 125.321 2.486 . . . . 25.0 111.7 174.711 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.787 0 N-CA-C 111.066 -0.813 . . . . 25.0 111.066 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt -54.24 -42.22 55.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 121.241 -1.152 . . . . 25.0 111.207 176.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.5 -40.81 90.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.142 -0.974 . . . . 25.0 111.53 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -80.05 -19.91 46.51 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 118.259 0.481 . . . . 25.0 111.384 -178.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -89.06 -34.41 16.79 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.976 1.473 . . . . 25.0 114.976 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.1 m -116.27 -22.0 9.06 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 118.192 2.664 . . . . 25.0 118.192 -176.151 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 m -92.65 -9.85 39.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.082 -1.011 . . . . 25.0 111.329 -175.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.99 135.02 40.01 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 166.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 t 52.91 -144.34 0.65 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-N 116.482 -0.326 . . . . 25.0 110.75 -176.111 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.02 127.44 75.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 121.031 -1.043 . . . . 25.0 108.661 -179.527 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.33 127.95 36.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 122.274 1.035 . . . . 25.0 112.242 -175.893 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.322 0.582 . . . . 25.0 111.268 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -61.44 -32.7 72.69 Favored 'General case' 1 C--O 1.37 7.395 0 C-N-CA 126.443 1.897 . . . . 25.0 109.902 174.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.3 -34.34 75.07 Favored 'General case' 0 C--O 1.196 -1.752 0 O-C-N 117.509 -3.244 . . . . 25.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.17 -38.66 35.34 Favored 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 107.59 -1.263 . . . . 25.0 107.59 -179.108 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.41 -27.86 62.75 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 176.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -63.65 -27.82 69.48 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 120.957 0.408 . . . . 25.0 112.097 175.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -66.48 -20.95 66.17 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.092 -1.005 . . . . 25.0 109.698 -179.118 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -84.33 3.16 37.02 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 t -125.5 -149.89 0.43 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.276 1.036 . . . . 25.0 109.399 178.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 . . . . . 0 C--O 1.199 -1.572 0 CA-C-O 124.468 2.08 . . . . 25.0 115.339 -179.818 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--O 1.176 -2.767 0 CA-C-O 121.665 0.745 . . . . 25.0 112.776 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 t -124.25 129.48 74.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 122.969 1.366 . . . . 25.0 110.138 -177.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -83.98 141.89 30.89 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.689 -1.597 . . . . 25.0 106.689 175.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.456 ' HG3' ' H ' ' B' ' 5' ' ' HIS . 6.3 tp-100 -157.07 -157.93 0.72 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 -177.646 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.456 ' H ' ' HG3' ' B' ' 4' ' ' GLN . 96.2 m-70 -73.69 69.81 1.33 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.508 1.123 . . . . 25.0 109.267 169.477 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.92 101.91 1.47 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.414 -171.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.52 -57.99 1.63 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.817 1.784 . . . . 25.0 115.817 -176.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.588 2.417 0 C-N-CA 128.349 2.66 . . . . 25.0 112.554 -174.752 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.6 t -56.93 -29.57 63.21 Favored 'General case' 0 C--N 1.378 1.841 0 O-C-N 120.301 -1.5 . . . . 25.0 112.626 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -60.61 -36.46 78.65 Favored 'General case' 0 C--O 1.201 -1.484 0 O-C-N 118.899 -2.376 . . . . 25.0 115.059 172.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.86 -43.14 97.01 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.417 1.103 . . . . 25.0 109.237 179.027 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -61.33 -47.25 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.619 0 CA-C-N 114.904 -1.044 . . . . 25.0 109.385 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.0 -44.36 97.54 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 175.4 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.83 83.35 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 121.924 -0.485 . . . . 25.0 111.764 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -43.35 96.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.202 0.525 . . . . 25.0 110.397 177.229 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.59 -41.57 98.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.621 -1.172 . . . . 25.0 109.899 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.0 -47.11 81.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 118.664 -0.684 . . . . 25.0 110.356 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.65 -27.46 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 120.022 -0.671 . . . . 25.0 109.999 -169.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.24 -19.8 17.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.5 -0.75 . . . . 25.0 111.496 -175.531 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.6 172.11 33.32 Favored Glycine 0 CA--C 1.54 1.651 0 O-C-N 120.692 -1.255 . . . . 25.0 112.12 -179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -69.68 -4.92 21.63 Favored 'General case' 0 C--O 1.25 1.117 0 CA-C-O 118.374 -0.822 . . . . 25.0 112.514 -176.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.94 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.976 0.797 . . . . 25.0 112.464 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.57 169.5 40.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.595 1.184 . . . . 25.0 115.301 179.351 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -140.33 19.39 2.4 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 122.152 0.977 . . . . 25.0 108.651 -175.284 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -68.77 149.47 48.97 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -173.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -105.76 -26.98 11.55 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 124.531 2.11 . . . . 25.0 109.631 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.8 p -105.19 132.68 51.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 113.426 -1.715 . . . . 25.0 107.087 174.282 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -61.49 149.28 84.27 Favored Pre-proline 0 CA--C 1.572 1.819 0 C-N-CA 119.323 -0.951 . . . . 25.0 112.329 -176.117 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -75.91 87.99 1.35 Allowed 'Trans proline' 0 C--O 1.204 -1.2 0 CA-C-N 119.667 0.917 . . . . 25.0 113.935 175.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 N--CA 1.427 -1.584 0 CA-C-O 122.009 0.909 . . . . 25.0 111.657 176.764 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -2.304 0 CA-C-O 124.145 1.969 . . . . 25.0 113.603 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 mt -74.83 -42.5 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 114.279 -0.96 . . . . 25.0 110.512 -177.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 115.947 -0.569 . . . . 25.0 110.351 173.139 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.39 -39.62 91.35 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.244 177.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -74.79 -38.72 62.06 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 112.284 0.476 . . . . 25.0 112.284 -178.019 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.0 -19.99 20.37 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 116.729 2.122 . . . . 25.0 116.729 -172.111 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 m -80.1 0.24 32.93 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 119.215 0.916 . . . . 25.0 109.848 177.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -127.72 157.81 39.32 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 103.996 -2.594 . . . . 25.0 103.996 176.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t 49.51 -154.34 0.11 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 122.813 0.445 . . . . 25.0 110.682 -171.315 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.28 134.13 45.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.271 0 O-C-N 121.972 -0.455 . . . . 25.0 110.97 178.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.43 121.6 40.57 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.568 1.167 . . . . 25.0 109.704 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -118.06 135.75 53.99 Favored 'General case' 0 C--O 1.265 1.919 0 CA-C-N 115.219 -0.9 . . . . 25.0 112.277 -173.116 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.02 -37.6 69.4 Favored 'General case' 1 C--O 1.324 4.996 0 O-C-N 125.193 1.558 . . . . 25.0 108.545 179.57 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -54.85 -39.41 68.59 Favored 'General case' 0 C--N 1.367 1.348 1 O-C-N 116.09 -4.131 . . . . 25.0 112.406 178.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.82 -33.12 46.36 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 119.029 -2.294 . . . . 25.0 112.484 -178.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.79 -28.41 69.97 Favored 'General case' 0 C--O 1.259 1.595 0 O-C-N 121.895 -0.503 . . . . 25.0 110.54 173.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -56.1 -30.33 61.9 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 119.448 -0.901 . . . . 25.0 111.033 175.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -65.25 -18.91 65.69 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 -176.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -96.59 1.43 51.24 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.691 -0.63 . . . . 25.0 112.253 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.7 t -77.29 -6.71 54.2 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.161 0.981 . . . . 25.0 108.813 172.183 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.187 -2.224 0 CA-C-O 126.15 2.881 . . . . 25.0 113.321 178.392 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 123.311 1.529 . . . . 25.0 113.803 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -59.93 146.96 9.6 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 113.085 -1.871 . . . . 25.0 111.946 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -81.64 -143.83 0.05 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.73 -1.123 . . . . 25.0 108.881 177.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -163.86 0.22 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-O 121.725 0.774 . . . . 25.0 110.05 171.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -92.19 95.29 9.65 Favored 'General case' 0 C--O 1.25 1.132 0 CA-C-N 114.464 -1.244 . . . . 25.0 111.921 -170.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.83 131.05 39.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.269 0.557 . . . . 25.0 111.525 179.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 97.4 m -136.26 169.48 17.57 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.746 -1.115 . . . . 25.0 112.131 -177.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.382 0 C-N-CA 127.016 2.126 . . . . 25.0 111.154 177.404 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 p -59.24 -34.61 72.42 Favored 'General case' 0 C--O 1.195 -1.798 0 O-C-N 120.601 -1.312 . . . . 25.0 112.006 -173.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -67.58 -34.57 77.3 Favored 'General case' 0 C--O 1.21 -0.991 0 O-C-N 120.565 -1.334 . . . . 25.0 111.237 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.41 -44.55 74.81 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 107.23 -1.396 . . . . 25.0 107.23 175.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-O 122.047 0.927 . . . . 25.0 110.257 -176.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -68.38 -34.98 77.03 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.898 -0.592 . . . . 25.0 112.22 -178.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.53 83.02 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 123.371 1.558 . . . . 25.0 111.314 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.64 -38.7 77.26 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-N 113.831 -1.531 . . . . 25.0 110.008 -178.749 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -60.05 -44.29 94.8 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 124.698 1.249 . . . . 25.0 110.358 174.059 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.06 -33.4 75.71 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.934 1.827 . . . . 25.0 115.934 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.58 -28.98 8.7 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 C-N-CA 119.549 -0.86 . . . . 25.0 112.479 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -91.38 -28.75 17.49 Favored 'General case' 0 C--O 1.278 2.572 0 CA-C-N 118.357 0.526 . . . . 25.0 110.877 -176.161 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 -179.37 28.05 Favored Glycine 0 N--CA 1.474 1.198 0 N-CA-C 109.326 -1.509 . . . . 25.0 109.326 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.87 -8.59 49.81 Favored 'General case' 0 C--O 1.194 -1.852 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 178.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.08 -28.25 69.48 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 118.774 -0.631 . . . . 25.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.35 158.19 32.57 Favored Glycine 0 C--N 1.334 0.441 0 N-CA-C 111.582 -0.607 . . . . 25.0 111.582 178.035 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -123.41 173.77 7.78 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.938 -175.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.437 ' HD1' ' H ' ' B' ' 26' ' ' TYR . 0.5 OUTLIER -81.28 -162.34 0.49 Allowed 'General case' 0 C--O 1.203 -1.381 0 C-N-CA 123.525 0.73 . . . . 25.0 111.021 -171.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.437 ' H ' ' HD1' ' B' ' 25' ' ' PHE . 51.9 t80 71.56 112.77 0.06 Allowed 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 124.905 1.282 . . . . 25.0 112.128 177.421 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.8 47.44 24.55 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.206 1.558 . . . . 25.0 115.206 179.085 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -79.29 123.5 84.59 Favored Pre-proline 0 CA--C 1.562 1.417 0 O-C-N 120.918 -1.114 . . . . 25.0 109.559 176.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -75.1 107.91 2.59 Favored 'Trans proline' 0 C--O 1.243 0.773 0 C-N-CA 115.138 -2.774 . . . . 25.0 111.621 -177.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.203 -1.373 0 CA-C-O 123.447 1.594 . . . . 25.0 109.796 178.572 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.455 0 CA-C-O 124.219 2.011 . . . . 25.0 114.725 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.33 -42.45 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 O-C-N 119.962 -1.905 . . . . 25.0 111.721 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.09 -44.15 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 120.912 0.387 . . . . 25.0 110.268 178.376 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -67.52 -34.26 76.75 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 116.399 -0.364 . . . . 25.0 110.971 -173.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -90.93 -37.89 13.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -174.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.7 m -119.3 -3.25 10.54 Favored 'General case' 0 C--O 1.19 -2.031 0 N-CA-C 116.36 1.985 . . . . 25.0 116.36 -169.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -93.51 -38.32 11.46 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 119.448 1.022 . . . . 25.0 110.341 172.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -75.08 -13.18 60.46 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.33 0.586 . . . . 25.0 109.943 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -133.88 -162.81 1.28 Allowed 'General case' 0 C--O 1.261 1.659 0 N-CA-C 104.886 -2.264 . . . . 25.0 104.886 179.537 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -127.42 109.84 21.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.305 170.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -82.68 157.09 23.48 Favored 'General case' 0 C--O 1.247 0.921 0 CA-C-O 121.841 0.829 . . . . 25.0 112.7 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.1 m -83.68 158.14 21.94 Favored 'General case' 0 C--O 1.272 2.273 0 CA-C-N 114.047 -1.433 . . . . 25.0 109.586 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.56 -30.88 71.91 Favored 'General case' 1 C--O 1.319 4.732 0 O-C-N 120.372 -1.455 . . . . 25.0 111.201 -176.308 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -52.51 -54.97 25.54 Favored 'General case' 0 C--O 1.19 -2.037 0 O-C-N 119.443 -2.036 . . . . 25.0 111.092 169.285 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.3 -42.11 90.55 Favored 'General case' 0 C--O 1.183 -2.426 0 O-C-N 119.268 -2.145 . . . . 25.0 112.666 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.05 -28.63 64.69 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.033 -0.984 . . . . 25.0 112.914 175.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.16 -28.62 62.93 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.355 -1.338 . . . . 25.0 112.331 173.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.05 -22.24 66.42 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.619 -0.676 . . . . 25.0 110.982 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -85.83 -11.02 54.44 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.281 0.562 . . . . 25.0 110.496 -178.01 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 t -99.0 -19.49 17.25 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 122.571 1.177 . . . . 25.0 107.836 174.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.17 -3.093 0 O-C-N 121.277 -0.89 . . . . 25.0 110.682 -170.502 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 122.523 1.154 . . . . 25.0 111.229 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.2 t -80.85 87.67 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -179.505 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -84.35 67.48 9.86 Favored 'General case' 0 C--O 1.199 -1.568 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 -178.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -124.9 179.08 5.17 Favored 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 105.874 -1.898 . . . . 25.0 105.874 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -41.63 117.44 0.92 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 174.237 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.16 84.73 6.13 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 113.974 -1.466 . . . . 25.0 113.117 -174.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.72 170.07 13.74 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.607 3.166 0 C-N-CA 127.028 2.131 . . . . 25.0 112.931 177.366 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -56.88 -32.76 66.19 Favored 'General case' 0 C--O 1.189 -2.126 0 N-CA-C 114.695 1.368 . . . . 25.0 114.695 -177.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' B' ' 10' ' ' HIS . 0.0 OUTLIER -72.28 -35.04 68.61 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 120.519 -1.363 . . . . 25.0 109.411 -175.854 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -43.9 89.98 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.043 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.27 -42.94 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.65 -0.657 . . . . 25.0 109.634 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -61.26 -49.21 78.0 Favored 'General case' 0 C--O 1.192 -1.942 0 O-C-N 121.628 -0.67 . . . . 25.0 111.271 179.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.46 88.1 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.608 -0.683 . . . . 25.0 110.832 178.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.377 -0.827 . . . . 25.0 111.731 178.154 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -65.7 -42.92 90.61 Favored 'General case' 0 C--O 1.199 -1.599 0 C-N-CA 124.466 1.106 . . . . 25.0 112.024 179.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.79 -40.59 83.91 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 176.134 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.59 -31.5 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.192 0 C-N-CA 119.657 -0.817 . . . . 25.0 112.54 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -100.51 -13.41 18.67 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.899 -0.72 . . . . 25.0 112.26 -173.161 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.11 -169.71 25.46 Favored Glycine 0 CA--C 1.537 1.422 0 N-CA-C 111.561 -0.616 . . . . 25.0 111.561 175.114 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.22 -25.5 64.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 O-C-N 121.45 -1.03 . . . . 25.0 111.176 -176.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -64.65 -32.88 74.74 Favored 'General case' 0 CA--C 1.481 -1.683 0 O-C-N 125.638 1.836 . . . . 25.0 108.029 -173.29 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.33 -176.41 38.13 Favored Glycine 0 C--O 1.211 -1.319 0 O-C-N 124.753 1.283 . . . . 25.0 111.04 172.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -87.36 -27.28 22.9 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 174.469 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 50.8 146.54 0.0 OUTLIER 'General case' 0 C--N 1.364 1.217 1 N-CA-C 122.708 4.336 . . . . 25.0 122.708 -178.569 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -139.23 143.63 38.11 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.347 -1.297 . . . . 25.0 108.561 172.254 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.1 p -130.25 69.21 1.44 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 122.432 1.11 . . . . 25.0 108.564 178.34 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -99.68 102.54 17.28 Favored Pre-proline 0 C--O 1.208 -1.086 0 CA-C-N 113.994 -1.457 . . . . 25.0 110.524 -175.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -75.52 83.61 1.87 Allowed 'Trans proline' 0 C--O 1.194 -1.685 0 C-N-CA 122.037 1.825 . . . . 25.0 112.633 -179.155 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.313 -0.989 0 O-C-N 119.379 -2.076 . . . . 25.0 110.292 -178.365 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.202 -1.88 0 CA-C-O 124.606 2.225 . . . . 25.0 113.277 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.28 -38.25 60.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 O-C-N 121.225 -1.162 . . . . 25.0 108.279 -179.164 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.32 -44.5 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 CA-C-O 118.141 -0.933 . . . . 25.0 109.956 -178.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.81 -48.45 81.75 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 119.955 -0.698 . . . . 25.0 110.493 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -71.28 -38.99 71.79 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 116.633 2.086 . . . . 25.0 116.633 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.6 t -105.43 -21.57 13.2 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 118.84 2.904 . . . . 25.0 118.84 -170.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -82.55 -15.05 53.74 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 119.038 -2.288 . . . . 25.0 109.001 -175.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -102.02 151.36 22.23 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 176.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m 55.6 -168.04 0.09 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 -171.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mm -76.78 -40.96 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.979 0 O-C-N 121.141 -0.974 . . . . 25.0 112.953 -172.514 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.6 t 66.2 80.84 0.21 Allowed 'General case' 0 CA--C 1.568 1.66 0 CA-C-O 122.959 1.362 . . . . 25.0 111.547 -172.049 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -64.31 159.88 20.04 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 121.267 -0.896 . . . . 25.0 109.63 -169.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -53.87 -36.19 62.37 Favored 'General case' 1 C--O 1.348 6.243 0 CA-C-O 122.358 1.075 . . . . 25.0 110.995 178.706 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -54.5 -50.63 67.36 Favored 'General case' 0 C--O 1.21 -1.018 0 O-C-N 118.053 -2.904 . . . . 25.0 113.093 171.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.11 -40.3 94.34 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.328 -0.858 . . . . 25.0 110.373 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.05 -41.81 93.12 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.548 0.739 . . . . 25.0 111.945 -178.532 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -26.8 62.81 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-N 115.495 -0.775 . . . . 25.0 112.192 177.243 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -71.25 -17.78 62.47 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.943 1.247 . . . . 25.0 112.117 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -77.41 -4.34 44.82 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 121.306 -0.871 . . . . 25.0 111.638 174.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 t -95.37 -160.35 0.78 Allowed 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 122.095 0.95 . . . . 25.0 111.773 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 120.051 -1.655 . . . . 25.0 114.217 -174.983 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 CA--C 1.581 2.171 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 50.6 t -99.46 124.07 52.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 N-CA-C 104.846 -2.279 . . . . 25.0 104.846 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -110.27 36.29 3.11 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.824 0.821 . . . . 25.0 112.229 -171.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -99.08 -157.95 0.64 Allowed 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 113.752 -1.567 . . . . 25.0 109.268 179.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -69.34 91.14 0.53 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 118.259 -0.877 . . . . 25.0 111.819 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.82 124.39 21.87 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 178.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.1 t -158.83 171.02 20.83 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 176.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.977 0 C-N-CA 126.455 1.902 . . . . 25.0 112.959 -173.197 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.3 t -60.45 -29.43 69.03 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 123.687 0.795 . . . . 25.0 111.064 -178.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -69.8 -33.41 72.33 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.595 -1.316 . . . . 25.0 109.003 -174.659 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.58 -47.25 73.35 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 174.656 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -55.25 -48.77 76.15 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.179 0 C-N-CA 123.084 0.554 . . . . 25.0 110.577 178.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.04 -47.97 80.72 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.166 -0.959 . . . . 25.0 111.263 179.414 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.99 87.1 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 122.077 -0.389 . . . . 25.0 110.502 -178.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.93 -37.4 85.96 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 123.786 0.679 . . . . 25.0 110.129 -178.661 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.37 -43.11 86.84 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.763 1.289 . . . . 25.0 110.865 176.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.37 -39.14 85.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.687 0.995 . . . . 25.0 113.687 179.162 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -79.68 -34.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 C-N-CA 118.99 -1.084 . . . . 25.0 109.631 -175.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.35 -32.33 24.3 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.91 -1.744 . . . . 25.0 110.783 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.66 -174.88 15.54 Favored Glycine 0 C--O 1.211 -1.313 0 CA-C-O 122.501 1.056 . . . . 25.0 112.425 177.028 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -66.43 -27.8 68.12 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 121.902 0.858 . . . . 25.0 111.527 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.49 48.66 1.68 Allowed 'General case' 0 C--O 1.189 -2.106 0 CA-C-N 114.521 -1.218 . . . . 25.0 109.307 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.63 -176.96 1.67 Allowed Glycine 0 CA--C 1.551 2.317 0 N-CA-C 119.826 2.69 . . . . 25.0 119.826 -171.173 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -58.19 160.84 4.66 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 112.362 -1.919 . . . . 25.0 114.284 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.6 -166.07 1.06 Allowed 'General case' 0 C--O 1.213 -0.833 0 O-C-N 124.414 1.071 . . . . 25.0 112.081 -177.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 t80 49.41 73.1 0.26 Allowed 'General case' 0 C--O 1.265 1.88 0 N-CA-C 117.39 2.367 . . . . 25.0 117.39 -179.578 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.36 115.54 23.13 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 104.594 -2.373 . . . . 25.0 104.594 168.037 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.5 130.45 91.97 Favored Pre-proline 0 C--N 1.332 -0.177 0 O-C-N 121.683 -0.636 . . . . 25.0 111.032 -177.765 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.42 101.64 1.28 Allowed 'Trans proline' 0 C--O 1.209 -0.974 0 C-N-CA 117.209 -1.394 . . . . 25.0 112.693 173.419 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 CA--C 1.54 0.559 0 O-C-N 118.385 -2.697 . . . . 25.0 111.891 -177.908 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.423 0 N-CA-C 116.939 1.536 . . . . 25.0 116.939 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.0 mt -69.2 -39.57 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.174 0 N-CA-C 106.01 -1.848 . . . . 25.0 106.01 174.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.86 -40.27 84.66 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.522 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.88 -26.44 61.44 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -177.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -83.96 -44.93 13.7 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 178.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 -23.1 11.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 118.071 2.619 . . . . 25.0 118.071 -170.405 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -81.18 -3.24 51.57 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 118.307 -1.357 . . . . 25.0 112.825 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -112.65 147.78 36.02 Favored 'General case' 0 CA--C 1.56 1.341 0 N-CA-C 103.572 -2.751 . . . . 25.0 103.572 171.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t 56.3 -172.23 0.07 Allowed 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 122.127 0.965 . . . . 25.0 108.946 -168.196 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.7 mm -92.1 125.8 44.72 Favored 'Isoleucine or valine' 0 C--O 1.268 2.03 0 O-C-N 120.867 -1.146 . . . . 25.0 111.969 -172.577 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.31 153.94 18.27 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 121.821 -0.549 . . . . 25.0 109.76 -178.634 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -150.65 158.47 44.19 Favored 'General case' 0 C--O 1.198 -1.62 0 O-C-N 124.111 0.882 . . . . 25.0 111.298 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.46 -31.87 62.32 Favored 'General case' 1 C--O 1.306 4.043 0 CA-C-O 122.874 1.321 . . . . 25.0 109.085 176.537 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -51.79 -52.27 50.23 Favored 'General case' 0 C--O 1.192 -1.946 0 O-C-N 117.792 -3.067 . . . . 25.0 113.66 171.649 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.05 -39.31 83.05 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.876 -1.14 . . . . 25.0 112.202 174.57 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.37 -27.54 62.39 Favored 'General case' 0 C--O 1.263 1.796 0 N-CA-C 115.506 1.669 . . . . 25.0 115.506 179.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -60.84 -23.74 65.36 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 114.988 1.477 . . . . 25.0 114.988 172.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -67.11 -15.63 63.84 Favored 'General case' 0 C--O 1.204 -1.32 0 CA-C-N 115.592 -0.731 . . . . 25.0 111.516 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -105.95 5.55 30.58 Favored 'General case' 0 C--O 1.193 -1.903 0 CA-C-O 122.422 1.106 . . . . 25.0 111.736 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.3 t -103.55 -35.29 8.36 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 122.218 1.009 . . . . 25.0 109.772 175.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.197 -1.695 0 CA-C-O 127.747 3.641 . . . . 25.0 116.354 -175.143 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 N--CA 1.513 2.704 0 N-CA-C 115.74 1.756 . . . . 25.0 115.74 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -125.21 131.55 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.887 0 CA-C-N 114.139 -1.391 . . . . 25.0 108.145 -173.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -94.57 -104.25 0.14 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 174.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 54.85 -139.02 1.04 Allowed 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 176.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -107.83 73.83 0.92 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.468 1.031 . . . . 25.0 109.351 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.14 129.96 43.24 Favored 'General case' 0 C--O 1.269 2.097 0 N-CA-C 105.419 -2.067 . . . . 25.0 105.419 -179.146 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.34 170.61 21.87 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 -174.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.521 0 C-N-CA 126.509 1.923 . . . . 25.0 113.449 173.726 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t -57.26 -32.57 66.72 Favored 'General case' 0 C--N 1.375 1.684 0 CA-C-O 123.248 1.499 . . . . 25.0 110.852 -170.263 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -68.67 -39.49 80.58 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 122.29 1.043 . . . . 25.0 111.495 179.072 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.54 -40.81 69.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 119.276 -0.97 . . . . 25.0 110.824 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.37 -44.17 91.9 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-O 119.432 -0.318 . . . . 25.0 111.728 173.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.31 -41.75 97.51 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 122.393 1.092 . . . . 25.0 112.096 178.091 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.73 81.82 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 114.484 -1.234 . . . . 25.0 112.661 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -40.2 74.63 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 -179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' B' ' 21' ' ' GLU . 79.9 t80 -61.24 -39.44 90.32 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 108.211 -1.033 . . . . 25.0 108.211 178.17 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.94 -42.03 85.97 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 115.81 1.781 . . . . 25.0 115.81 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 m -77.27 -26.74 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.037 -1.039 . . . . 25.0 113.039 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -88.49 -39.57 14.09 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 122.549 1.166 . . . . 25.0 110.54 -177.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.07 179.74 15.88 Favored Glycine 0 C--O 1.211 -1.319 0 N-CA-C 110.581 -1.008 . . . . 25.0 110.581 175.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' CZ ' ' B' ' 16' ' ' TYR . 96.5 mt-10 -69.98 -1.5 9.89 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 121.75 -0.853 . . . . 25.0 111.723 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.63 -10.78 59.72 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 116.066 -0.516 . . . . 25.0 110.185 -176.429 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -171.05 31.65 Favored Glycine 0 C--O 1.253 1.303 0 CA-C-O 117.496 -1.724 . . . . 25.0 109.521 178.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -153.37 -172.53 4.27 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.633 1.716 . . . . 25.0 107.33 -177.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -169.46 0.22 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 112.519 0.562 . . . . 25.0 112.519 -176.349 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.1 t80 74.43 104.79 0.07 Allowed 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 173.278 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m 53.55 77.73 0.17 Allowed 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 122.836 1.303 . . . . 25.0 114.136 179.109 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 54.2 mtpt -59.41 131.0 87.84 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 115.009 -0.996 . . . . 25.0 110.214 175.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 15.8 Cg_exo -76.94 59.36 6.43 Favored 'Trans proline' 0 C--O 1.201 -1.329 0 CA-C-O 123.541 1.392 . . . . 25.0 114.508 175.149 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.205 -1.254 0 O-C-N 118.864 -2.397 . . . . 25.0 110.802 -178.786 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 116.359 1.304 . . . . 25.0 116.359 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.1 mm -53.88 -43.05 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 -176.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.8 -46.57 79.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.946 -1.096 . . . . 25.0 111.316 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.75 -42.67 90.66 Favored 'General case' 0 C--O 1.209 -1.028 0 O-C-N 122.174 -0.329 . . . . 25.0 111.3 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -75.6 -38.77 58.78 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.92 -51.24 3.2 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 122.614 1.197 . . . . 25.0 113.958 -175.097 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.02 -18.48 53.49 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 118.467 2.765 . . . . 25.0 118.467 -171.584 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -63.72 -17.58 63.14 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.925 -1.109 . . . . 25.0 112.224 -179.019 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 t -145.91 -169.32 3.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 104.802 -2.296 . . . . 25.0 104.802 178.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.33 115.52 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 106.328 -1.73 . . . . 25.0 106.328 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -92.88 148.2 22.21 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-N 113.097 -1.865 . . . . 25.0 108.773 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -122.14 156.2 34.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 124.26 1.981 . . . . 25.0 112.377 -171.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.78 -31.05 71.94 Favored 'General case' 1 C--O 1.332 5.42 0 CA-C-N 114.307 -1.315 . . . . 25.0 108.091 -178.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.22 -50.08 74.0 Favored 'General case' 0 CA--C 1.481 -1.676 0 O-C-N 120.043 -1.661 . . . . 25.0 112.535 173.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -66.48 -35.75 81.03 Favored 'General case' 0 C--O 1.194 -1.853 0 CA-C-N 113.271 -1.786 . . . . 25.0 111.074 -179.062 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mp -58.23 -34.14 70.12 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.766 0.666 . . . . 25.0 111.803 177.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -53.61 -33.68 55.81 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 175.064 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -69.81 -7.23 38.11 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 121.944 -0.473 . . . . 25.0 111.911 -177.014 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -104.75 10.56 34.59 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 121.467 0.651 . . . . 25.0 110.016 -178.032 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.8 t -129.37 170.88 13.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 105.47 -2.048 . . . . 25.0 105.47 178.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 . . . . . 0 C--O 1.205 -1.249 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 173.827 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 116.002 1.852 . . . . 25.0 116.002 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.02 136.54 55.29 Favored 'Isoleucine or valine' 0 C--O 1.264 1.836 0 CA-C-N 113.383 -1.735 . . . . 25.0 107.415 175.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -93.6 104.47 16.58 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.78 -158.22 0.84 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 -178.475 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -83.31 76.08 9.92 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 107.124 -1.435 . . . . 25.0 107.124 179.11 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.19 106.81 1.76 Allowed 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 115.471 -0.786 . . . . 25.0 109.184 -177.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.95 177.71 7.69 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 122.97 1.367 . . . . 25.0 110.242 176.657 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.265 0 C-N-CA 127.05 2.14 . . . . 25.0 112.17 -177.388 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -59.96 -33.78 72.39 Favored 'General case' 0 C--N 1.376 1.74 0 O-C-N 118.029 -2.919 . . . . 25.0 111.061 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -62.08 -30.88 71.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.763 -1.113 . . . . 25.0 113.853 176.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.94 -42.19 85.72 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 123.794 0.684 . . . . 25.0 110.213 177.119 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -64.94 -42.3 94.43 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 C-N-CA 123.146 0.578 . . . . 25.0 109.583 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -69.58 -39.23 77.46 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 124.444 1.09 . . . . 25.0 110.526 -179.253 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.03 -35.25 79.48 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 118.341 -1.344 . . . . 25.0 109.682 176.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -42.17 98.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 122.115 -0.366 . . . . 25.0 111.15 174.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.18 -41.04 92.05 Favored 'General case' 0 N--CA 1.416 -2.17 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 175.366 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.28 -38.98 91.93 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 115.064 -0.971 . . . . 25.0 113.207 177.199 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.45 -45.58 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 118.684 0.675 . . . . 25.0 111.351 176.633 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -16.51 45.5 Favored 'General case' 0 C--O 1.263 1.786 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -171.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.86 -173.48 43.37 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 110.369 -1.092 . . . . 25.0 110.369 176.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.86 -4.52 13.01 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 113.98 1.104 . . . . 25.0 113.98 -179.196 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -65.2 -27.39 68.65 Favored 'General case' 0 C--O 1.207 -1.139 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 178.039 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.86 -176.84 10.77 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 120.47 -0.871 . . . . 25.0 113.754 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -150.03 158.53 44.25 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.26 168.07 11.14 Favored 'General case' 0 C--O 1.261 1.671 0 C-N-CA 122.938 0.495 . . . . 25.0 109.687 -177.636 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.02 61.0 1.45 Allowed 'General case' 0 C--O 1.27 2.175 0 O-C-N 125.653 1.845 . . . . 25.0 107.245 179.198 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.9 m 67.55 139.31 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 113.983 -1.462 . . . . 25.0 112.56 -179.027 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -79.96 130.06 68.11 Favored Pre-proline 0 C--O 1.24 0.596 0 O-C-N 118.759 -2.463 . . . . 25.0 107.611 -179.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.45 118.28 5.1 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 114.62 -3.12 . . . . 25.0 110.185 174.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 124.643 2.163 . . . . 25.0 112.985 -176.383 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -1.238 0 CA-C-O 123.866 1.814 . . . . 25.0 112.108 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.13 -37.74 80.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.72 -33.78 63.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 O-C-N 121.501 -0.75 . . . . 25.0 109.805 177.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -65.5 -43.45 90.12 Favored 'General case' 0 C--O 1.197 -1.695 0 C-N-CA 118.244 -1.383 . . . . 25.0 109.405 175.109 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.46 -42.45 96.2 Favored 'General case' 0 C--O 1.182 -2.453 0 CA-C-O 117.653 -1.165 . . . . 25.0 109.037 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.59 -27.43 63.13 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.731 1.151 . . . . 25.0 110.888 -177.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.03 -44.89 79.09 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 121.539 -0.726 . . . . 25.0 110.91 176.27 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -91.02 -24.57 20.03 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-O 118.409 -0.805 . . . . 25.0 112.773 -175.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -133.34 164.3 27.42 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.231 0.957 . . . . 25.0 112.929 -177.39 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.423 HG21 HD22 ' B' ' 3' ' ' ASN . 27.0 mm -64.51 136.55 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 120.348 -0.541 . . . . 25.0 111.939 -178.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -136.14 157.46 46.78 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 122.158 0.98 . . . . 25.0 111.061 173.529 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.7 p -94.42 169.62 10.08 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 116.906 2.187 . . . . 25.0 116.906 -168.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.35 -34.17 72.04 Favored 'General case' 1 C--O 1.35 6.357 0 O-C-N 119.254 -2.154 . . . . 25.0 111.403 168.389 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -64.89 -40.17 94.68 Favored 'General case' 0 C--O 1.198 -1.611 0 O-C-N 119.234 -2.167 . . . . 25.0 111.108 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -71.34 -42.02 69.06 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 114.704 -1.134 . . . . 25.0 109.592 178.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.76 -38.98 67.87 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.83 177.333 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.77 -26.73 65.95 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -176.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -75.98 -15.57 60.13 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 118.807 -0.616 . . . . 25.0 110.701 -173.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -70.25 -18.58 63.15 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.222 0.919 . . . . 25.0 109.679 171.294 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.8 m -89.18 142.7 27.42 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 177.03 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 . . . . . 0 C--O 1.197 -1.693 0 CA-C-O 125.812 2.72 . . . . 25.0 112.575 -178.542 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 C--O 1.194 -1.837 0 CA-C-O 124.901 2.286 . . . . 25.0 114.944 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.23 136.6 26.2 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 CA-C-N 113.133 -1.849 . . . . 25.0 108.52 176.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.423 HD22 HG21 ' A' ' 10' ' ' ILE . 14.7 m120 -76.65 68.63 2.94 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 122.441 1.115 . . . . 25.0 113.552 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -126.76 7.64 6.81 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.75 -1.114 . . . . 25.0 110.431 -176.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 p80 35.69 64.35 0.49 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 177.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.7 mt -70.95 138.49 50.07 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 103.226 -2.879 . . . . 25.0 103.226 177.116 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t -116.7 -155.82 0.6 Allowed 'General case' 0 C--O 1.254 1.307 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.587 2.397 0 CA-C-N 114.178 -1.374 . . . . 25.0 112.724 -179.103 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -55.36 -31.06 61.46 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 124.585 1.154 . . . . 25.0 110.532 178.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -71.15 -31.5 67.78 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 119.486 -2.009 . . . . 25.0 111.969 -179.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.75 -35.64 72.75 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 178.194 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.73 -40.41 83.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 178.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -66.67 -37.71 85.31 Favored 'General case' 0 CA--C 1.572 1.823 0 CA-C-O 121.314 0.578 . . . . 25.0 112.414 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.99 96.6 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 178.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 tp -61.13 -39.7 91.0 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.743 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.55 -42.21 98.39 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.456 0.646 . . . . 25.0 110.768 178.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.2 -43.32 99.06 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 122.69 1.233 . . . . 25.0 114.102 179.139 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 m -79.14 -26.5 13.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 O-C-N 120.907 -1.121 . . . . 25.0 113.073 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 -25.64 30.31 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 114.18 1.178 . . . . 25.0 114.18 176.697 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.71 169.56 34.01 Favored Glycine 0 CA--C 1.499 -0.937 0 N-CA-C 107.54 -2.224 . . . . 25.0 107.54 -177.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -63.38 -2.77 1.63 Allowed 'General case' 0 CA--C 1.572 1.826 0 CA-C-N 113.878 -1.161 . . . . 25.0 113.373 -177.411 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -23.53 61.04 Favored 'General case' 0 C--O 1.196 -1.737 0 O-C-N 123.945 0.778 . . . . 25.0 110.84 177.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.37 -170.88 41.35 Favored Glycine 0 C--O 1.181 -3.188 0 N-CA-C 109.594 -1.403 . . . . 25.0 109.594 -175.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -143.83 -35.01 0.38 Allowed 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.519 2.044 . . . . 25.0 116.519 -168.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -109.25 148.9 30.23 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.721 0.772 . . . . 25.0 111.805 -175.015 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -71.74 -36.62 70.51 Favored 'General case' 0 C--O 1.264 1.848 0 CA-C-N 114.79 -1.096 . . . . 25.0 109.996 177.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.5 m -110.12 113.15 25.62 Favored 'General case' 0 C--O 1.257 1.469 0 N-CA-C 103.802 -2.666 . . . . 25.0 103.802 174.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -131.79 151.15 78.08 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 119.597 -0.841 . . . . 25.0 109.563 -176.79 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.46 66.86 6.39 Favored 'Trans proline' 0 C--N 1.354 0.839 0 CA-C-O 122.693 1.039 . . . . 25.0 113.318 -179.719 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.212 -0.91 0 O-C-N 117.78 -3.075 . . . . 25.0 111.325 179.548 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.809 0 CA-C-O 124.165 1.981 . . . . 25.0 108.985 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.439 HG12 ' CD1' ' A' ' 19' ' ' TYR . 40.2 mt -51.99 -55.3 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 111.808 -2.196 . . . . 25.0 112.913 -175.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 m -73.53 -25.92 21.51 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 O-C-N 120.157 -1.589 . . . . 25.0 111.6 -176.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -69.41 -40.33 77.36 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.529 -0.732 . . . . 25.0 109.428 -177.144 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -74.34 -50.58 18.12 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 114.332 -1.304 . . . . 25.0 111.934 178.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.1 m -81.49 -16.7 51.06 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 115.288 1.588 . . . . 25.0 115.288 -172.264 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.98 -12.56 60.04 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 120.697 -1.252 . . . . 25.0 111.98 179.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 t -118.18 -7.88 10.72 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.714 1.245 . . . . 25.0 111.48 -178.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -128.95 176.53 7.8 Favored 'General case' 0 CA--C 1.484 -1.567 0 N-CA-C 104.785 -2.302 . . . . 25.0 104.785 -178.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -109.29 109.92 30.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 175.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.7 m -93.72 107.64 19.49 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 108.142 -1.058 . . . . 25.0 108.142 -179.128 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -60.78 154.42 21.87 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 115.196 -0.911 . . . . 25.0 110.882 169.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' ' N ' ' B' ' 1' ' ' PHE . 8.5 mp -58.05 -31.25 66.86 Favored 'General case' 0 C--O 1.301 3.765 0 O-C-N 121.435 -0.79 . . . . 25.0 109.571 -177.729 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -55.73 -37.97 69.14 Favored 'General case' 0 C--O 1.204 -1.292 0 O-C-N 117.75 -3.094 . . . . 25.0 113.383 174.355 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -80.74 -38.85 27.96 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 113.673 -1.603 . . . . 25.0 109.333 -179.098 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.78 -26.4 65.69 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 124.268 0.98 . . . . 25.0 110.303 177.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.92 -25.72 57.91 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.387 -0.821 . . . . 25.0 111.138 174.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -64.2 -22.8 67.08 Favored 'General case' 0 C--O 1.191 -2.025 0 CA-C-N 118.933 0.788 . . . . 25.0 112.58 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.439 ' CD1' HG12 ' A' ' 2' ' ' ILE . 46.0 m-85 -89.44 -8.38 53.11 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 121.348 -0.845 . . . . 25.0 111.236 -179.356 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.5 m -98.83 -13.64 20.01 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.661 -1.154 . . . . 25.0 110.265 174.212 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.209 -1.05 0 CA-C-O 124.471 2.081 . . . . 25.0 112.233 -175.076 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.522 ' N ' ' H ' ' A' ' 13' ' ' LEU . 5.3 m-85 . . . . . 0 C--O 1.184 -2.361 0 CA-C-O 123.098 1.428 . . . . 25.0 113.573 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.9 t -77.43 131.5 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.122 0 N-CA-C 107.72 -1.215 . . . . 25.0 107.72 -177.259 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -148.4 -152.71 0.45 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 107.129 -1.434 . . . . 25.0 107.129 179.14 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -91.95 -179.35 5.27 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 118.693 0.679 . . . . 25.0 110.318 169.347 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -63.57 -50.55 69.04 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.267 1.21 . . . . 25.0 114.267 -176.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.7 mt 63.27 -174.81 0.15 Allowed 'General case' 0 C--O 1.198 -1.618 0 O-C-N 124.989 1.431 . . . . 25.0 108.852 -171.297 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -172.55 -55.26 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.95 0 O-C-N 121.07 -1.018 . . . . 25.0 109.905 -174.147 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.587 2.386 0 CA-C-O 124.014 1.864 . . . . 25.0 110.887 -178.684 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -47.14 -32.43 4.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 129.722 3.209 . . . . 25.0 114.088 -173.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -57.26 -31.21 65.34 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 175.011 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -75.75 -44.07 43.54 Favored 'General case' 0 C--O 1.247 0.957 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 -175.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.5 -37.26 77.4 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 176.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.7 -39.58 84.39 Favored 'General case' 0 C--O 1.184 -2.383 0 O-C-N 120.456 -1.403 . . . . 25.0 110.248 177.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.79 92.51 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 177.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 tp -66.45 -39.47 88.89 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.334 -0.841 . . . . 25.0 110.372 -178.588 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.045 0.938 . . . . 25.0 111.894 173.008 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.63 -40.6 95.45 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 179.157 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -81.51 -29.24 10.47 Favored 'Isoleucine or valine' 0 C--O 1.247 0.973 0 C-N-CA 118.61 -1.236 . . . . 25.0 112.029 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.7 -33.2 31.29 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 119.077 0.853 . . . . 25.0 112.994 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.62 -171.28 52.68 Favored Glycine 0 C--O 1.204 -1.763 0 N-CA-C 111.16 -0.776 . . . . 25.0 111.16 -169.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.93 -1.59 2.11 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 115.27 1.582 . . . . 25.0 115.27 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -12.24 60.21 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.574 1.694 . . . . 25.0 115.574 -175.636 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.75 172.08 45.1 Favored Glycine 0 C--N 1.293 -1.837 0 N-CA-C 108.679 -1.768 . . . . 25.0 108.679 172.462 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -161.31 169.85 21.3 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 118.946 -0.549 . . . . 25.0 110.444 -172.186 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.82 171.09 4.62 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 122.318 1.056 . . . . 25.0 113.245 -174.143 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 57.29 70.39 0.66 Allowed 'General case' 0 C--O 1.243 0.733 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -177.307 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.1 t -117.02 36.14 4.34 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 105.721 -1.955 . . . . 25.0 105.721 175.131 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -88.15 116.05 65.03 Favored Pre-proline 0 C--N 1.294 -1.83 0 O-C-N 121.69 -0.631 . . . . 25.0 111.36 177.075 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.06 123.26 8.23 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 117.236 -1.376 . . . . 25.0 112.562 176.039 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.206 -1.222 0 N-CA-C 115.449 1.648 . . . . 25.0 115.449 -176.166 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.904 0 CA-C-O 123.563 1.646 . . . . 25.0 115.882 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.88 -32.93 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 119.387 -2.243 . . . . 25.0 108.492 178.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.1 -31.93 52.15 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.216 0 O-C-N 121.262 -0.899 . . . . 25.0 111.049 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.33 -36.55 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.643 -0.66 . . . . 25.0 110.245 176.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -61.12 -39.48 90.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 120.24 -0.584 . . . . 25.0 109.451 170.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -34.91 76.98 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.93 -1.106 . . . . 25.0 110.495 179.647 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -70.16 -41.67 73.52 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.39 -0.818 . . . . 25.0 111.862 179.614 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.61 -14.07 61.53 Favored 'General case' 0 C--N 1.308 -1.199 0 O-C-N 123.686 0.616 . . . . 25.0 111.852 179.451 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -118.83 -141.58 0.36 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 102.416 -3.179 . . . . 25.0 102.416 179.692 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -125.37 124.81 67.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 103.515 -2.772 . . . . 25.0 103.515 175.164 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' HB2' HD21 ' B' ' 3' ' ' ASN . 22.5 m -72.35 166.88 21.62 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.025 0.917 . . . . 25.0 111.85 -173.71 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -133.34 155.6 49.15 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.855 -1.153 . . . . 25.0 108.169 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.48 -36.83 85.04 Favored 'General case' 1 C--O 1.325 5.054 0 O-C-N 119.006 -2.309 . . . . 25.0 111.126 -177.403 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.93 -40.25 97.05 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 117.941 -2.974 . . . . 25.0 113.11 -179.565 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -64.43 -44.82 90.0 Favored 'General case' 0 C--N 1.377 1.786 0 CA-C-N 115.194 -0.912 . . . . 25.0 109.98 174.013 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 3.4 mp -55.95 -36.41 67.75 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 114.731 1.382 . . . . 25.0 114.731 -179.024 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.78 -27.95 53.62 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.293 1.22 . . . . 25.0 114.293 172.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -75.76 -14.39 60.32 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-O 123.117 1.437 . . . . 25.0 110.921 -176.107 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 11.2 m-85 -89.23 -1.76 58.21 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.281 -0.887 . . . . 25.0 109.32 178.469 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.15 2.3 12.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.438 -0.801 . . . . 25.0 111.019 176.421 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 . . . . . 0 CA--C 1.559 1.316 0 CA-C-O 125.418 2.532 . . . . 25.0 111.481 -169.12 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 N--CA 1.499 2.0 0 CA-C-O 125.822 2.725 . . . . 25.0 113.251 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 69.8 t -104.83 125.2 59.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 119.436 -2.04 . . . . 25.0 107.251 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.436 HD21 ' HB2' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -126.66 129.19 47.98 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.408 0.623 . . . . 25.0 111.111 -176.718 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -127.67 -146.64 0.33 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.755 176.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.14 79.61 7.76 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 106.591 -1.633 . . . . 25.0 106.591 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.38 124.32 23.19 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.617 -0.512 . . . . 25.0 109.617 -178.194 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.24 178.94 9.64 Favored 'General case' 0 C--N 1.32 -0.677 1 N-CA-C 99.32 -4.326 . . . . 25.0 99.32 178.33 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.421 0 C-N-CA 128.019 2.528 . . . . 25.0 111.53 175.449 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.8 t -60.79 -31.8 71.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.181 -1.574 . . . . 25.0 110.662 -177.006 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -60.67 -39.02 86.88 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 120.451 -1.406 . . . . 25.0 112.572 178.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.82 -35.9 77.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 119.824 -0.751 . . . . 25.0 111.461 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.86 -43.94 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.272 1.034 . . . . 25.0 111.808 177.539 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.11 -47.8 82.98 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 177.44 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.16 86.72 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.891 0.769 . . . . 25.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.28 -41.8 85.16 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 119.902 -0.719 . . . . 25.0 111.695 175.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.67 -47.99 78.61 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 118.263 -0.875 . . . . 25.0 112.436 172.43 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -67.1 -39.35 86.72 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 124.011 0.82 . . . . 25.0 111.358 -177.438 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -85.88 -31.08 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 N-CA-C 114.321 1.23 . . . . 25.0 114.321 -176.585 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.3 m -104.66 -31.29 9.45 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 121.312 -0.867 . . . . 25.0 112.753 -179.148 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.81 -178.98 35.28 Favored Glycine 0 CA--C 1.555 2.584 0 N-CA-C 108.464 -1.855 . . . . 25.0 108.464 -168.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -72.79 8.98 1.25 Allowed 'General case' 0 CA--C 1.57 1.74 0 CA-C-N 118.331 1.065 . . . . 25.0 111.906 176.122 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -24.43 46.07 Favored 'General case' 0 C--O 1.194 -1.852 0 O-C-N 121.461 -0.775 . . . . 25.0 110.221 174.12 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.14 -122.76 4.93 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-O 123.551 1.64 . . . . 25.0 109.675 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.11 166.55 9.38 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.242 -1.74 . . . . 25.0 114.257 -170.611 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -138.45 161.91 35.81 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 104.751 -2.314 . . . . 25.0 104.751 164.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 20.13 0.16 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.12 1.526 . . . . 25.0 115.12 -178.314 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.7 t 33.53 53.22 0.44 Allowed 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.424 2.009 . . . . 25.0 116.424 178.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -63.08 121.89 71.84 Favored Pre-proline 0 C--N 1.308 -1.196 0 N-CA-C 115.11 1.522 . . . . 25.0 115.11 -178.086 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.32 89.79 1.3 Allowed 'Trans proline' 0 CA--C 1.545 1.053 0 CA-C-O 123.362 1.317 . . . . 25.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.478 0.939 0 O-C-N 118.795 -2.441 . . . . 25.0 111.79 177.717 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.394 0 CA-C-O 125.513 2.73 . . . . 25.0 117.277 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.47 -38.5 81.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 119.295 -2.297 . . . . 25.0 111.298 -176.428 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 p -73.49 -40.52 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 -175.036 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 176.147 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -62.93 -41.48 99.49 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 118.409 0.549 . . . . 25.0 109.819 178.524 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -29.88 70.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 120.547 -1.345 . . . . 25.0 112.134 178.827 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -72.42 -57.72 3.96 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 178.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -74.39 -24.36 59.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.456 -1.402 . . . . 25.0 111.895 -170.042 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -132.78 -133.56 0.18 Allowed 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 117.889 -1.053 . . . . 25.0 111.965 -176.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.7 mm -110.79 -55.49 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 123.876 0.735 . . . . 25.0 111.626 -174.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 55.61 179.5 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 122.979 1.371 . . . . 25.0 111.799 -174.59 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -136.47 151.56 49.59 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.655 -1.903 . . . . 25.0 115.535 -176.25 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.04 -32.67 72.29 Favored 'General case' 1 C--O 1.358 6.8 0 CA-C-O 122.737 1.255 . . . . 25.0 110.76 176.353 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.33 -33.54 59.15 Favored 'General case' 0 C--O 1.205 -1.272 1 O-C-N 115.514 -4.491 . . . . 25.0 115.204 170.603 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.52 -41.36 32.5 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 119.929 -1.732 . . . . 25.0 106.757 177.429 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.29 -20.79 45.56 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 124.693 1.245 . . . . 25.0 111.078 -179.148 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.83 -27.47 42.29 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 119.638 1.108 . . . . 25.0 111.95 174.096 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -61.38 -25.07 66.93 Favored 'General case' 0 C--O 1.204 -1.309 0 O-C-N 121.51 -0.744 . . . . 25.0 112.386 -179.532 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -84.88 1.82 45.4 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.489 0.922 . . . . 25.0 113.489 179.631 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -137.57 178.36 7.16 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 121.243 -0.911 . . . . 25.0 111.733 -175.377 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 124.631 2.158 . . . . 25.0 112.783 171.334 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 118.224 2.675 . . . . 25.0 118.224 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 87.8 t -75.16 120.03 23.98 Favored 'Isoleucine or valine' 0 C--O 1.26 1.63 0 N-CA-C 103.646 -2.724 . . . . 25.0 103.646 168.388 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -128.9 162.95 26.35 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 111.955 0.354 . . . . 25.0 111.955 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -131.59 -174.07 3.3 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 104.885 -2.265 . . . . 25.0 104.885 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -58.62 131.85 52.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 118.968 0.804 . . . . 25.0 112.653 177.185 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -126.0 125.0 41.95 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.863 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -150.48 -53.62 0.15 Allowed 'General case' 0 C--O 1.206 -1.214 0 CA-C-O 122.372 1.082 . . . . 25.0 112.381 -177.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.309 0 C-N-CA 128.101 2.56 . . . . 25.0 112.445 172.022 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p -50.07 -35.35 24.91 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 120.29 -1.506 . . . . 25.0 114.123 -179.057 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -66.6 -26.35 67.05 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.71 1.004 . . . . 25.0 113.71 -178.126 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.67 -45.67 82.03 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -63.78 -46.27 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.097 0.873 . . . . 25.0 110.104 177.869 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.85 -39.95 72.19 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.435 -1.269 . . . . 25.0 109.619 176.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.65 77.21 Favored 'General case' 0 C--O 1.208 -1.104 0 CA-C-N 119.298 0.954 . . . . 25.0 111.572 -177.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -45.95 86.81 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 115.777 -0.647 . . . . 25.0 110.146 176.5 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -62.47 -41.08 98.52 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 179.115 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.0 -41.71 90.7 Favored 'General case' 0 C--O 1.199 -1.559 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -80.25 -30.71 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 C-N-CA 118.538 -1.265 . . . . 25.0 112.684 -174.707 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 38.8 t -82.89 -38.59 22.7 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 118.721 -0.657 . . . . 25.0 110.79 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.1 174.77 14.2 Favored Glycine 0 CA--C 1.489 -1.552 0 CA-C-O 117.4 -1.778 . . . . 25.0 113.199 179.394 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.26 -14.59 63.06 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.636 1.718 . . . . 25.0 111.877 -176.658 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -15.99 63.37 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 113.57 -1.65 . . . . 25.0 113.031 -179.667 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.02 -167.78 54.7 Favored Glycine 0 C--O 1.193 -2.464 0 CA-C-O 122.185 0.88 . . . . 25.0 113.537 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -131.93 164.7 25.55 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 122.257 1.027 . . . . 25.0 108.363 -174.388 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.85 162.77 26.62 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 121.6 -0.688 . . . . 25.0 109.865 -174.044 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -110.89 -153.44 0.52 Allowed 'General case' 0 C--O 1.251 1.183 0 N-CA-C 106.107 -1.812 . . . . 25.0 106.107 172.161 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.72 100.38 6.88 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 174.527 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -141.03 152.75 65.94 Favored Pre-proline 0 N--CA 1.468 0.427 0 O-C-N 124.909 1.381 . . . . 25.0 110.951 -176.064 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -76.77 100.58 1.41 Allowed 'Trans proline' 0 CA--C 1.539 0.765 0 CA-C-O 123.218 1.257 . . . . 25.0 112.309 177.807 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.32 -0.675 0 O-C-N 118.592 -2.567 . . . . 25.0 113.221 -173.628 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.179 -3.29 0 N-CA-C 119.48 2.552 . . . . 25.0 119.48 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -56.66 -47.35 82.47 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.825 0 O-C-N 120.071 -1.841 . . . . 25.0 113.509 -174.787 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.07 -35.08 70.31 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 119.919 -1.738 . . . . 25.0 109.373 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -70.29 -45.06 67.07 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 -178.497 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -69.88 -36.61 75.59 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 117.936 -1.031 . . . . 25.0 111.1 -175.033 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.22 -13.01 11.78 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 117.983 2.586 . . . . 25.0 117.983 -171.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.38 -17.9 60.09 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.08 -1.013 . . . . 25.0 111.265 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 t -73.6 -5.44 40.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.367 1.467 . . . . 25.0 112.717 -175.83 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -149.75 -179.96 7.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.926 1.29 . . . . 25.0 110.447 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -77.3 99.87 2.55 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 175.005 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -75.86 113.91 13.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.776 -0.647 . . . . 25.0 111.067 -178.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -79.12 157.61 27.91 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.856 -1.164 . . . . 25.0 107.856 -169.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.444 HD13 ' H ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.45 -36.7 69.34 Favored 'General case' 0 C--O 1.301 3.776 0 C-N-CA 119.537 -0.865 . . . . 25.0 109.454 171.241 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' H ' HD13 ' A' ' 13' ' ' LEU . 19.0 t80 -64.81 -37.51 87.86 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 119.008 -2.307 . . . . 25.0 112.427 -178.04 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -72.28 -43.55 64.09 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 114.297 -1.319 . . . . 25.0 109.58 177.501 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.47 -30.12 70.4 Favored 'General case' 0 C--O 1.182 -2.471 0 O-C-N 121.292 -0.88 . . . . 25.0 112.207 178.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -61.92 -22.72 65.84 Favored 'General case' 0 C--O 1.184 -2.344 0 N-CA-C 113.178 0.807 . . . . 25.0 113.178 174.524 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -78.86 -3.41 44.52 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 119.127 -2.233 . . . . 25.0 113.728 178.01 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -102.35 -9.78 20.04 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.641 1.21 . . . . 25.0 109.561 175.752 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.1 t -83.54 146.76 28.16 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 114.811 -1.086 . . . . 25.0 109.714 179.04 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--O 1.209 -1.068 0 CA-C-O 125.437 2.541 . . . . 25.0 110.467 -178.888 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 123.154 1.454 . . . . 25.0 114.545 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.7 t -78.42 88.4 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 O-C-N 119.688 -1.882 . . . . 25.0 112.469 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -77.01 18.62 0.35 Allowed 'General case' 0 C--O 1.19 -2.051 0 CA-C-N 114.751 -1.113 . . . . 25.0 113.178 174.69 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -111.85 -4.92 14.45 Favored 'General case' 0 N--CA 1.412 -2.327 0 C-N-CA 122.643 0.377 . . . . 25.0 111.43 178.284 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.96 17.03 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 121.46 3.874 . . . . 25.0 121.46 174.859 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -56.65 147.36 22.76 Favored 'General case' 0 C--O 1.259 1.568 0 CA-C-O 123.241 1.496 . . . . 25.0 111.566 174.545 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 71.8 m -120.4 -125.1 0.27 Allowed 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 113.298 -1.774 . . . . 25.0 113.436 -174.7 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.618 3.575 0 C-N-CA 129.273 3.029 . . . . 25.0 114.071 -169.018 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.06 -13.48 0.19 Allowed 'General case' 0 C--N 1.362 1.121 0 C-N-CA 127.918 2.487 . . . . 25.0 112.575 170.524 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -68.86 -35.34 76.8 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 115.878 1.807 . . . . 25.0 115.878 -175.138 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.85 -38.36 90.73 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 118.035 0.38 . . . . 25.0 111.184 173.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.4 t -66.26 -41.61 89.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 176.635 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -67.43 -36.77 81.87 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.21 -0.996 . . . . 25.0 111.209 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.85 80.74 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 tp -57.57 -44.73 85.53 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.701 -0.681 . . . . 25.0 111.42 175.383 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -61.96 -42.53 99.22 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.435 -0.793 . . . . 25.0 110.524 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.33 -44.57 96.96 Favored 'General case' 0 N--CA 1.514 2.727 0 CA-C-N 119.199 0.909 . . . . 25.0 112.894 178.462 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.29 -27.63 21.9 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.974 0 O-C-N 123.694 0.621 . . . . 25.0 111.412 -178.687 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 -28.7 24.93 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-O 123.413 1.578 . . . . 25.0 109.602 -177.576 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.52 -174.08 20.79 Favored Glycine 0 C--O 1.247 0.915 0 N-CA-C 105.483 -3.047 . . . . 25.0 105.483 174.242 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.64 -10.54 59.92 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -72.32 -25.06 61.42 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.239 0.543 . . . . 25.0 109.708 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.39 -175.89 32.21 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 122.966 1.314 . . . . 25.0 113.327 172.396 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -135.51 155.68 50.11 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.388 -1.066 . . . . 25.0 109.115 -175.335 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -84.38 150.89 25.05 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 121.815 -0.553 . . . . 25.0 111.703 -177.144 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -83.84 108.75 17.05 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.314 -0.995 . . . . 25.0 108.314 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -81.78 8.41 10.19 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 -179.299 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.62 139.8 97.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 113.539 0.94 . . . . 25.0 113.539 -177.696 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -83.3 49.6 3.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 CA-C-O 122.663 1.026 . . . . 25.0 112.017 176.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.348 0.536 0 CA-C-O 124.424 2.059 . . . . 25.0 113.894 178.922 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.967 0 CA-C-O 125.822 2.901 . . . . 25.0 112.405 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.82 -35.84 70.21 Favored 'Isoleucine or valine' 0 C--O 1.167 -3.257 0 CA-C-N 109.665 -3.268 . . . . 25.0 109.426 -177.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -60.68 -34.86 60.4 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 O-C-N 120.414 -1.429 . . . . 25.0 113.765 173.59 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -70.1 -35.97 74.52 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.537 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.75 -42.94 99.91 Favored 'General case' 0 C--O 1.199 -1.574 0 CA-C-N 114.028 -1.442 . . . . 25.0 110.072 175.747 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.7 m -68.35 -21.17 64.74 Favored 'General case' 0 C--O 1.197 -1.662 0 CA-C-N 115.232 -0.895 . . . . 25.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.07 -42.08 16.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 175.226 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -86.5 -16.53 36.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.201 -1.562 . . . . 25.0 115.212 178.256 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -128.71 -176.37 3.82 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 -174.003 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.23 132.39 31.67 Favored 'Isoleucine or valine' 0 C--O 1.251 1.149 0 CA-C-O 121.702 0.763 . . . . 25.0 109.555 178.209 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -100.83 162.92 12.57 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.674 -1.148 . . . . 25.0 110.041 -175.635 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -130.77 159.72 36.48 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 123.473 1.606 . . . . 25.0 112.817 177.192 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.56 -37.0 77.31 Favored 'General case' 1 C--O 1.319 4.747 0 O-C-N 119.455 -2.028 . . . . 25.0 110.576 177.627 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -63.34 -38.98 93.25 Favored 'General case' 0 C--O 1.201 -1.495 0 O-C-N 117.225 -3.422 . . . . 25.0 111.9 177.518 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.09 -40.89 95.26 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.733 0.778 . . . . 25.0 109.868 176.357 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.67 -38.81 75.77 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 113.64 -1.618 . . . . 25.0 112.404 -175.862 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.98 -25.43 63.59 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 116.006 1.854 . . . . 25.0 116.006 -178.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -71.29 -11.48 60.94 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -179.674 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -96.21 12.08 32.18 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 120.147 -0.621 . . . . 25.0 110.074 174.033 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -126.62 177.82 6.28 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 . . . . . 0 CA--C 1.573 1.845 0 CA-C-O 126.908 3.242 . . . . 25.0 111.525 173.311 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 121.545 0.688 . . . . 25.0 111.996 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -85.14 132.82 30.8 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 -175.836 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -79.81 125.45 29.71 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.86 -0.792 . . . . 25.0 108.86 177.587 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -150.8 -162.95 1.66 Allowed 'General case' 0 C--O 1.249 1.077 0 C-N-CA 119.908 -0.717 . . . . 25.0 111.398 -175.463 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -72.3 150.05 43.9 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.551 0.532 . . . . 25.0 110.135 175.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -133.73 90.8 2.75 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 118.47 0.577 . . . . 25.0 110.194 171.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.5 m -96.47 161.91 13.7 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 175.617 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.612 3.327 0 C-N-CA 126.71 2.004 . . . . 25.0 115.232 179.677 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -64.71 -30.89 71.92 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 125.697 1.599 . . . . 25.0 110.319 -176.294 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -64.1 -34.53 78.26 Favored 'General case' 0 CA--C 1.561 1.377 0 CA-C-N 119.891 1.223 . . . . 25.0 111.547 -178.453 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.4 -39.63 81.61 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-O 121.907 0.86 . . . . 25.0 109.733 177.12 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.07 -44.68 99.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.417 -0.802 . . . . 25.0 109.541 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.36 -42.19 98.87 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 121.361 0.601 . . . . 25.0 111.273 178.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.52 84.61 Favored 'General case' 0 C--O 1.204 -1.314 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 177.265 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.55 -44.61 95.93 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 176.104 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.8 -41.35 97.91 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 118.831 -0.604 . . . . 25.0 110.643 179.825 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.94 -44.74 84.18 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 120.336 -0.546 . . . . 25.0 109.753 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 6.3 p -81.29 -25.28 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.01 0 N-CA-C 116.645 2.091 . . . . 25.0 116.645 -175.749 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.59 -5.82 8.12 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 119.056 -1.058 . . . . 25.0 113.667 -171.098 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.21 -166.11 13.31 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.958 -0.639 . . . . 25.0 113.136 172.418 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -68.52 79.31 0.27 Allowed 'General case' 0 C--O 1.249 1.068 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -175.691 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.421 ' HA ' ' CZ ' ' B' ' 24' ' ' PHE . 0.0 OUTLIER 51.78 30.72 7.23 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 115.382 1.623 . . . . 25.0 115.382 169.331 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.66 9.56 64.81 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 120.495 -0.859 . . . . 25.0 113.498 -179.17 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' B' ' 22' ' ' ARG . 0.1 OUTLIER -98.51 -53.23 3.39 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 117.499 0.649 . . . . 25.0 112.043 -173.794 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -156.86 -167.98 2.53 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 -170.636 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 71.32 32.93 2.05 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 125.447 1.717 . . . . 25.0 110.948 175.449 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -124.44 104.29 8.67 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 113.526 -1.67 . . . . 25.0 107.067 173.825 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -142.17 132.81 12.77 Favored Pre-proline 0 C--O 1.217 -0.618 0 N-CA-C 106.098 -1.816 . . . . 25.0 106.098 -179.677 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -78.02 75.38 4.85 Favored 'Trans proline' 0 CA--C 1.563 1.951 0 CA-C-O 122.179 0.825 . . . . 25.0 112.425 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.209 -1.028 0 CA-C-O 123.396 1.569 . . . . 25.0 112.516 -176.193 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 CA-C-O 123.634 1.686 . . . . 25.0 112.23 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.16 -48.24 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.636 1.974 . . . . 25.0 112.052 -174.325 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 m -72.13 -32.67 44.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 C-N-CA 120.44 -0.504 . . . . 25.0 110.415 177.869 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.5 -38.31 90.59 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 123.797 0.686 . . . . 25.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -80.61 -38.87 28.5 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 124.735 1.272 . . . . 25.0 112.318 -177.108 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.73 -22.94 3.79 Favored 'General case' 0 C--O 1.199 -1.584 0 N-CA-C 119.337 3.088 . . . . 25.0 119.337 -170.635 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.59 -32.5 62.38 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.393 -1.442 . . . . 25.0 108.515 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -88.25 147.18 24.95 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 173.277 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t 56.92 -157.32 0.28 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 117.054 -1.45 . . . . 25.0 112.165 -171.396 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -100.46 122.96 53.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 -174.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.87 129.03 34.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 177.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.5 m -91.15 152.45 20.57 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 121.855 -0.528 . . . . 25.0 110.913 176.054 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.704 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.86 -29.79 70.3 Favored 'General case' 1 C--O 1.321 4.837 0 CA-C-O 123.075 1.417 . . . . 25.0 112.543 178.219 . . . . . . . . 4 4 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -58.47 -41.27 84.87 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 116.691 -3.756 . . . . 25.0 114.595 165.556 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.08 -43.14 65.32 Favored 'General case' 0 C--N 1.387 2.215 0 O-C-N 118.365 -2.709 . . . . 25.0 107.942 -175.444 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.47 -39.03 82.39 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.335 -0.848 . . . . 25.0 111.936 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.47 -19.92 65.15 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 117.967 -1.493 . . . . 25.0 112.498 -177.08 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -68.62 -20.11 64.47 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -176.198 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -88.97 9.93 23.31 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 -178.393 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.5 m -74.93 -12.17 60.29 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 119.032 0.833 . . . . 25.0 109.802 173.873 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--O 1.207 -1.134 0 CA-C-O 124.553 2.121 . . . . 25.0 108.706 164.462 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.2 t80 . . . . . 0 CA--C 1.484 -1.582 0 CA-C-O 124.706 2.193 . . . . 25.0 109.315 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t -96.55 120.51 45.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 O-C-N 119.86 -1.775 . . . . 25.0 109.24 -176.904 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -79.97 96.76 6.51 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 116.183 -0.462 . . . . 25.0 109.991 176.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -148.27 173.61 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 -179.607 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.44 72.25 10.25 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 122.519 1.152 . . . . 25.0 108.046 176.006 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.8 mt -78.9 91.75 4.82 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 122.972 1.367 . . . . 25.0 109.073 -174.445 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.4 m -106.63 -179.26 3.89 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.258 -179.871 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.671 0 C-N-CA 127.409 2.283 . . . . 25.0 112.213 174.578 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.8 t -53.19 -40.4 64.38 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 121.666 0.746 . . . . 25.0 111.32 177.815 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -67.77 -18.33 64.83 Favored 'General case' 0 CA--C 1.567 1.613 0 O-C-N 121.572 -0.705 . . . . 25.0 112.29 -178.258 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.2 -39.82 68.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 175.087 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.74 -40.18 78.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-N 114.71 -1.132 . . . . 25.0 108.038 -177.249 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -58.95 -46.24 88.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.969 -1.014 . . . . 25.0 109.41 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.81 85.98 Favored 'General case' 0 C--O 1.207 -1.166 0 O-C-N 124.345 1.028 . . . . 25.0 110.404 -176.443 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -38.1 87.68 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 123.962 0.905 . . . . 25.0 109.465 -178.773 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -66.28 -43.93 84.99 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.615 0.572 . . . . 25.0 111.213 173.176 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.67 -41.19 98.21 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 120.346 -0.542 . . . . 25.0 112.454 -179.452 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.6 -31.19 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -178.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -18.08 58.16 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 175.171 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.78 174.78 36.7 Favored Glycine 0 C--O 1.194 -2.398 0 CA-C-N 114.786 -1.097 . . . . 25.0 113.16 177.479 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.88 -13.4 59.56 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 118.946 1.373 . . . . 25.0 110.722 174.61 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -68.6 -28.34 66.84 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.491 178.15 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.26 178.53 50.75 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-O 122.492 1.051 . . . . 25.0 115.088 172.41 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -130.08 0.08 Allowed 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 105.99 -1.856 . . . . 25.0 105.99 -179.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -76.13 111.45 11.55 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 119.844 -1.785 . . . . 25.0 111.208 178.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -113.42 14.39 19.12 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 166.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -83.39 88.72 6.97 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-N 114.432 -1.258 . . . . 25.0 111.131 -178.396 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -76.29 141.75 70.67 Favored Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 118.956 -1.098 . . . . 25.0 108.61 178.643 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.24 92.56 0.91 Allowed 'Trans proline' 0 CA--C 1.555 1.556 0 CA-C-O 123.774 1.489 . . . . 25.0 113.722 177.271 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.31 -1.11 0 CA-C-O 124.988 2.328 . . . . 25.0 113.215 -178.583 . . . . . . . . 0 0 . 1 stop_ save_