data_1eio_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 1eio _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.63 0.728 . . . . 0.56999999999999995 111.372 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.7 m -69.17 154.57 41.83 Favored 'General case' 0 C--N 1.37 1.496 0 CA-C-O 122.819 1.295 . . . . 0.56999999999999995 110.583 -167.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.32 177.39 20.06 Favored Glycine 0 C--N 1.38 2.98 0 CA-C-O 123.699 1.721 . . . . 0.56999999999999995 115.093 168.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.2 tttp -101.68 112.87 25.59 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 104.5 -2.407 . . . . 0.56999999999999995 104.5 169.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.97 141.3 42.93 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 107.869 -1.16 . . . . 0.56999999999999995 107.869 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -101.73 160.45 14.45 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 107.308 -1.368 . . . . 0.91000000000000003 107.308 168.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.44 129.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.375 1.686 0 CA-C-O 123.333 1.54 . . . . 0.56999999999999995 107.807 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.7 -43.86 16.35 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 107.29 -1.374 . . . . 0.91000000000000003 107.29 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -176.73 162.56 2.2 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-O 122.715 1.245 . . . . 0.56999999999999995 111.321 175.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -141.81 160.66 39.73 Favored 'General case' 0 C--N 1.378 1.845 0 N-CA-C 106.335 -1.728 . . . . 0.91000000000000003 106.335 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.76 19.69 0.46 Allowed 'General case' 0 C--N 1.385 2.121 0 N-CA-C 115.32 1.6 . . . . 0.56999999999999995 115.32 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.23 18.43 0.29 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 117.21 -1.796 . . . . 0.56999999999999995 114.309 -176.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -44.43 65.36 Favored 'General case' 0 C--N 1.381 1.939 0 CA-C-O 123.024 1.393 . . . . 0.56999999999999995 110.547 -161.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.78 -48.05 83.55 Favored 'General case' 0 C--N 1.379 1.889 0 CA-C-O 122.753 1.263 . . . . 0.91000000000000003 108.442 -161.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -69.85 -27.13 64.59 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 114.433 -1.258 . . . . 0.91000000000000003 112.965 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -66.4 -36.68 83.46 Favored 'General case' 0 C--N 1.37 1.484 0 CA-C-O 122.594 1.188 . . . . 0.56999999999999995 109.586 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.9 mmm -65.53 -30.88 71.69 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.732 1.254 . . . . 0.56999999999999995 110.029 -171.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -72.3 -30.93 65.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 114.571 -1.195 . . . . 0.56999999999999995 111.057 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -76.33 -26.77 56.12 Favored 'General case' 0 C--N 1.384 2.093 0 CA-C-O 122.797 1.284 . . . . 1.2 111.552 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.3 mt -78.91 -29.39 44.23 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.872 -1.058 . . . . 0.56999999999999995 111.728 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.646 0 CA-C-O 123.27 1.509 . . . . 0.56999999999999995 110.625 -171.673 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.539 0.532 0 CA-C-O 120.738 0.304 . . . . 0.56999999999999995 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -69.58 -47.48 63.45 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-O 122.07 0.938 . . . . 0.91000000000000003 111.089 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -89.1 3.76 50.71 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 119.374 -0.93 . . . . 0.56999999999999995 111.721 -159.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.91 5.01 49.45 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 113.819 1.044 . . . . 0.56999999999999995 113.819 164.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.81 79.09 1.59 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.771 1.748 . . . . 1.2 112.147 -168.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 83.51 36.29 0.04 OUTLIER 'General case' 0 C--N 1.376 1.729 0 CA-C-N 113.067 -1.878 . . . . 0.56999999999999995 111.272 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 mt -78.28 154.73 30.69 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 124.041 1.877 . . . . 0.56999999999999995 110.688 167.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -85.82 93.99 9.03 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 104.479 -2.415 . . . . 0.56999999999999995 104.479 159.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -73.75 152.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 N-CA-C 105.799 -1.926 . . . . 0.56999999999999995 105.799 171.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.13 120.93 61.76 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 N-CA-C 105.78 -1.933 . . . . 0.56999999999999995 105.78 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -92.09 114.86 27.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 107.283 -1.377 . . . . 0.56999999999999995 107.283 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 11.2 mm-40 -94.86 143.68 26.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 105.79 -1.93 . . . . 0.91000000000000003 105.79 171.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -143.71 93.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 106.236 -1.764 . . . . 0.56999999999999995 106.236 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 1.4 tmmt? -90.35 122.55 33.33 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 105.188 -2.153 . . . . 0.56999999999999995 105.188 163.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -96.63 136.73 36.75 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 105.102 -2.184 . . . . 0.56999999999999995 105.102 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.456 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.8 m-20 -100.39 -31.19 11.44 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-O 123.188 1.47 . . . . 0.91000000000000003 108.306 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.59 -96.05 0.11 Allowed Glycine 0 C--N 1.382 3.133 0 N-CA-C 106.511 -2.636 . . . . 0.56999999999999995 106.511 168.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -82.28 -19.5 39.4 Favored 'General case' 0 C--N 1.378 1.826 0 CA-C-O 123.121 1.439 . . . . 0.56999999999999995 109.201 162.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -89.65 157.43 18.02 Favored 'General case' 0 C--N 1.382 2.016 0 N-CA-C 107.091 -1.448 . . . . 0.56999999999999995 107.091 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -139.62 152.9 47.16 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-N 114.059 -1.428 . . . . 0.56999999999999995 107.728 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.7 m -132.14 86.73 2.36 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 104.852 -2.277 . . . . 0.56999999999999995 104.852 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -84.81 156.35 21.39 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 113.063 -1.881 . . . . 0.56999999999999995 107.446 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -151.49 143.84 24.11 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-N 114.859 -1.064 . . . . 0.56999999999999995 109.053 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -114.51 98.95 7.2 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 105.413 -2.069 . . . . 0.56999999999999995 105.413 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -92.34 153.61 19.09 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 124.203 1.954 . . . . 0.56999999999999995 109.551 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -156.24 93.68 2.46 Favored Pre-proline 0 C--N 1.379 1.854 0 N-CA-C 105.221 -2.14 . . . . 0.56999999999999995 105.221 -142.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -77.09 64.61 7.82 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-O 124.498 1.791 . . . . 0.56999999999999995 112.034 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.37 18.7 0.61 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 112.994 -1.912 . . . . 0.56999999999999995 111.027 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.4 11.09 64.88 Favored Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.541 1.078 . . . . 0.56999999999999995 114.292 168.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -134.62 179.57 6.21 Favored 'General case' 0 C--N 1.373 1.627 0 N-CA-C 105.533 -2.025 . . . . 0.56999999999999995 105.533 171.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -177.38 162.65 1.92 Allowed 'General case' 0 C--N 1.365 1.281 0 N-CA-C 106.314 -1.736 . . . . 0.56999999999999995 106.314 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.3 mt -139.2 100.49 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.675 0 N-CA-C 108.409 -0.959 . . . . 0.56999999999999995 108.409 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.9 m -89.1 158.87 17.8 Favored 'General case' 0 C--N 1.375 1.701 0 CA-C-O 122.353 1.073 . . . . 0.56999999999999995 108.21 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -159.31 116.9 2.74 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-O 122.031 0.92 . . . . 0.56999999999999995 108.629 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.0 m -92.0 136.79 32.89 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 106.025 -1.843 . . . . 0.56999999999999995 106.025 167.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -148.68 169.61 20.01 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-O 123.057 1.408 . . . . 0.56999999999999995 110.039 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.6 m -131.69 137.78 48.43 Favored 'General case' 0 C--N 1.379 1.88 0 CA-C-N 114.952 -1.022 . . . . 0.56999999999999995 108.634 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -85.77 141.19 14.83 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 122.759 1.266 . . . . 0.56999999999999995 109.655 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.55 38.06 15.47 Favored Glycine 0 C--N 1.383 3.157 0 CA-C-N 114.226 -1.352 . . . . 0.56999999999999995 112.164 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.0 tttm -160.39 166.68 28.88 Favored 'General case' 0 C--N 1.376 1.731 0 N-CA-C 107.106 -1.442 . . . . 0.56999999999999995 107.106 -170.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -87.26 150.14 24.09 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.444 1.592 . . . . 0.91000000000000003 109.005 153.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -125.53 156.88 38.34 Favored 'General case' 0 C--N 1.37 1.476 0 N-CA-C 106.652 -1.611 . . . . 0.56999999999999995 106.652 166.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.82 148.4 22.55 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 105.627 -1.99 . . . . 0.91000000000000003 105.627 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.1 mm -145.33 133.07 16.11 Favored 'Isoleucine or valine' 0 C--N 1.374 1.671 0 CA-C-O 122.874 1.321 . . . . 0.56999999999999995 108.011 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -128.36 174.37 9.38 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 125.146 2.403 . . . . 0.91000000000000003 108.034 -174.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.5 p 84.91 -45.84 0.08 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 113.768 -1.56 . . . . 0.56999999999999995 114.469 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -78.47 83.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.771 0 CA-C-O 125.603 2.621 . . . . 0.56999999999999995 107.266 -161.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.19 23.33 35.02 Favored Glycine 0 C--N 1.383 3.173 0 CA-C-N 112.037 -2.347 . . . . 0.56999999999999995 113.456 -171.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.87 19.13 78.06 Favored Glycine 0 C--N 1.381 3.053 0 C-N-CA 119.504 -1.332 . . . . 0.56999999999999995 115.811 159.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.76 171.29 7.5 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-O 122.791 1.281 . . . . 0.56999999999999995 108.274 172.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -125.97 96.07 4.62 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 102.95 -2.982 . . . . 0.56999999999999995 102.95 169.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -101.14 155.26 18.11 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.666 1.222 . . . . 0.56999999999999995 109.457 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -98.11 162.7 13.08 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-O 122.972 1.368 . . . . 0.56999999999999995 107.555 148.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.47 142.63 28.29 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-N 113.707 -1.588 . . . . 0.56999999999999995 107.976 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.85 142.69 33.39 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 107.299 -1.371 . . . . 0.56999999999999995 107.299 167.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -137.54 130.24 42.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 CA-C-O 124.253 1.978 . . . . 0.56999999999999995 105.888 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -153.51 165.8 34.72 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 124.241 1.972 . . . . 0.56999999999999995 109.233 -153.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 ttt -114.29 119.74 38.03 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 103.785 -2.672 . . . . 0.56999999999999995 103.785 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.68 -176.47 6.08 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 104.108 -2.553 . . . . 0.91000000000000003 104.108 162.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.86 88.44 0.38 Allowed Glycine 0 C--N 1.377 2.814 0 O-C-N 120.145 -1.597 . . . . 0.56999999999999995 113.08 -164.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.74 17.34 Favored Glycine 0 C--N 1.377 2.849 0 CA-C-N 114.049 -1.076 . . . . 0.56999999999999995 115.128 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.19 147.28 25.28 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 122.122 0.963 . . . . 0.56999999999999995 109.219 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.8 t -80.46 161.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.48 0 N-CA-C 106.627 -1.62 . . . . 0.56999999999999995 106.627 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.9 p -160.26 140.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.525 1.631 . . . . 0.56999999999999995 111.702 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.5 t -108.73 140.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 N-CA-C 106.256 -1.757 . . . . 0.56999999999999995 106.256 162.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -141.69 130.53 22.99 Favored 'General case' 0 C--N 1.373 1.626 0 N-CA-C 106.741 -1.578 . . . . 0.56999999999999995 106.741 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.2 p -159.13 175.39 3.27 Favored Pre-proline 0 C--N 1.372 1.552 0 CA-C-O 121.651 0.738 . . . . 0.56999999999999995 110.371 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -64.04 116.75 3.89 Favored 'Trans proline' 0 C--N 1.381 2.284 0 CA-C-O 123.674 1.448 . . . . 0.56999999999999995 111.768 -174.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 72.87 35.52 1.0 Allowed 'General case' 0 C--N 1.385 2.116 0 CA-C-N 113.607 -1.633 . . . . 0.56999999999999995 111.073 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -167.09 119.79 0.95 Allowed 'General case' 0 C--N 1.39 2.331 0 CA-C-O 122.668 1.223 . . . . 0.56999999999999995 111.681 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -120.4 148.25 44.02 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.117 -2.179 . . . . 0.56999999999999995 105.117 167.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.501 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 22.3 t60 -155.3 92.12 1.39 Allowed 'General case' 0 C--N 1.376 1.737 0 N-CA-C 107.424 -1.324 . . . . 0.56999999999999995 107.424 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.7 p -80.6 164.34 22.98 Favored 'General case' 0 C--N 1.373 1.607 0 CA-C-O 123.475 1.607 . . . . 0.56999999999999995 110.17 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -152.2 88.05 1.36 Allowed 'General case' 0 C--N 1.376 1.724 0 CA-C-N 113.233 -1.803 . . . . 0.56999999999999995 106.26 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -97.2 159.64 14.8 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.314 1.846 . . . . 0.91000000000000003 109.964 -174.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 mm -107.62 139.01 31.05 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 123.609 1.671 . . . . 0.56999999999999995 109.411 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.7 p -151.15 149.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.926 0 N-CA-C 107.056 -1.461 . . . . 0.56999999999999995 107.056 163.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . 0.387 1.0 OUTLIER 57.79 14.02 2.3 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 116.624 2.083 . . . . 0.91000000000000003 116.624 175.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.33 -11.0 59.69 Favored Glycine 0 C--N 1.386 3.323 0 CA-C-N 114.238 -1.346 . . . . 0.56999999999999995 115.206 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -82.28 166.12 19.81 Favored 'General case' 0 C--N 1.372 1.551 0 CA-C-O 123.569 1.652 . . . . 0.56999999999999995 110.979 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.29 141.23 28.67 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-N 112.619 -2.082 . . . . 0.56999999999999995 107.16 166.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.3 t -117.24 121.35 67.47 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 N-CA-C 104.009 -2.589 . . . . 0.56999999999999995 104.009 161.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.501 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 45.1 mt-10 -100.33 151.88 20.98 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 118.474 -1.29 . . . . 0.91000000000000003 108.136 165.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.8 t -134.57 112.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 N-CA-C 105.544 -2.021 . . . . 0.56999999999999995 105.544 163.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 m -93.08 151.44 19.86 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.602 -1.181 . . . . 0.56999999999999995 109.184 166.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 m -147.07 123.35 10.91 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 105.33 -2.1 . . . . 0.56999999999999995 105.33 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.87 -178.7 2.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.487 0 N-CA-C 106.026 -1.842 . . . . 0.56999999999999995 106.026 -175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.75 97.24 0.24 Allowed Glycine 0 C--N 1.375 2.733 0 CA-C-O 123.793 1.774 . . . . 0.56999999999999995 112.394 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.06 4.26 72.07 Favored Glycine 0 C--N 1.378 2.9 0 CA-C-N 112.925 -1.638 . . . . 0.56999999999999995 117.105 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 83.8 t -141.83 150.95 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 106.752 -1.573 . . . . 0.56999999999999995 106.752 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.8 m -121.89 163.29 19.49 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 122.427 1.108 . . . . 0.56999999999999995 108.848 160.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -152.68 98.56 2.36 Favored 'General case' 0 C--N 1.367 1.326 0 N-CA-C 105.909 -1.885 . . . . 0.56999999999999995 105.909 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 154.35 19.89 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 124.903 2.287 . . . . 0.91000000000000003 110.889 170.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -140.06 144.87 37.08 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 110.928 -2.851 . . . . 1.2 104.423 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.51 120.31 57.44 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 N-CA-C 105.99 -1.855 . . . . 0.56999999999999995 105.99 168.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.0 m -122.02 113.01 18.96 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 114.814 -1.085 . . . . 0.56999999999999995 108.211 -174.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -80.01 137.92 36.93 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 122.741 1.258 . . . . 0.56999999999999995 112.096 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -91.69 123.45 35.09 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.429 -1.693 . . . . 0.56999999999999995 106.429 165.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 23.62 0.45 Allowed 'General case' 0 C--N 1.375 1.676 0 CA-C-O 123.323 1.535 . . . . 0.56999999999999995 112.039 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.379 1.851 0 CA-C-O 126.404 3.002 . . . . 0.66000000000000003 108.197 176.714 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 CA--C 1.547 0.865 0 CA-C-O 124.354 2.026 . . . . 0.56999999999999995 110.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 t -151.8 170.98 18.46 Favored 'General case' 0 C--N 1.381 1.978 0 CA-C-O 122.732 1.253 . . . . 0.56999999999999995 109.209 159.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.48 -177.16 30.3 Favored Glycine 0 C--N 1.375 2.709 0 CA-C-O 123.877 1.821 . . . . 0.56999999999999995 114.812 -162.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -72.63 167.57 20.47 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 118.542 -2.74 . . . . 0.56999999999999995 104.858 -29.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -128.39 160.7 31.41 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 105.345 -2.095 . . . . 0.56999999999999995 105.345 159.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.402 ' OE1' ' NZ ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -145.02 144.43 31.0 Favored 'General case' 0 C--N 1.365 1.271 0 N-CA-C 104.796 -2.298 . . . . 0.91000000000000003 104.796 -172.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.47 130.71 35.95 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 CA-C-O 124.558 2.123 . . . . 0.56999999999999995 110.611 -169.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 32.2 tt0 -89.65 -44.08 10.3 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-N 112.738 -2.028 . . . . 0.91000000000000003 107.057 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -173.41 154.6 2.64 Favored 'General case' 0 C--N 1.38 1.905 0 CA-C-O 122.439 1.114 . . . . 0.56999999999999995 110.51 170.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -123.45 122.48 38.35 Favored 'General case' 0 C--N 1.376 1.73 0 N-CA-C 104.743 -2.317 . . . . 0.91000000000000003 104.743 169.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -2.07 26.77 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 114.761 1.393 . . . . 0.56999999999999995 114.761 -165.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.13 24.19 0.83 Allowed 'General case' 0 C--N 1.384 2.068 0 CA-C-O 123.348 1.547 . . . . 0.56999999999999995 112.162 -167.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -66.28 -40.79 90.3 Favored 'General case' 0 C--N 1.38 1.923 0 CA-C-O 122.89 1.328 . . . . 0.56999999999999995 109.736 -169.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' A' ' 19' ' ' LYS . 12.2 t70 -67.53 -45.77 74.74 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 123.207 1.48 . . . . 0.91000000000000003 108.104 -166.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -38.49 91.21 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-N 113.241 -1.799 . . . . 0.91000000000000003 109.909 -176.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -69.19 -39.04 78.91 Favored 'General case' 0 C--N 1.379 1.852 0 CA-C-O 123.22 1.486 . . . . 0.56999999999999995 109.303 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 77.3 mmm -69.08 -25.43 64.43 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 121.067 -1.021 . . . . 0.56999999999999995 111.697 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' NZ ' ' OD1' ' A' ' 15' ' ' ASP . 13.7 mptt -69.68 -30.01 67.58 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-O 121.566 0.698 . . . . 0.56999999999999995 110.655 172.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -73.01 -35.02 66.72 Favored 'General case' 0 C--N 1.381 1.954 0 CA-C-O 121.872 0.844 . . . . 1.2 111.906 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.2 mt -76.58 -15.57 59.82 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 115.77 -0.65 . . . . 0.56999999999999995 111.699 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.651 0 C-N-CA 126.909 2.084 . . . . 0.56999999999999995 113.532 172.174 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 123.142 1.449 . . . . 0.56999999999999995 107.829 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.427 ' OD2' ' NH1' ' A' ' 32' ' ' ARG . 1.6 m-20 -71.49 -16.87 62.37 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 114.956 -1.02 . . . . 0.91000000000000003 110.401 -168.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -96.82 31.44 2.35 Favored 'General case' 0 C--N 1.378 1.834 0 CA-C-O 123.069 1.414 . . . . 0.56999999999999995 111.885 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.49 -1.54 0.27 Allowed 'General case' 0 C--N 1.381 1.938 0 CA-C-N 114.927 -1.033 . . . . 0.56999999999999995 113.714 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' NH1' ' OD2' ' A' ' 29' ' ' ASP . 37.0 mtt85 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-O 123.34 1.543 . . . . 1.2 109.668 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 68.68 19.05 8.65 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.755 -1.566 . . . . 0.56999999999999995 112.634 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -91.35 155.86 18.19 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 123.705 1.717 . . . . 0.56999999999999995 107.86 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 7' ' ' GLU . 15.0 mttm -96.29 103.98 15.92 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.275 -2.12 . . . . 0.56999999999999995 105.275 165.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.32 109.87 13.43 Favored 'Isoleucine or valine' 0 C--N 1.376 1.721 0 N-CA-C 105.083 -2.191 . . . . 0.56999999999999995 105.083 170.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.05 145.25 9.76 Favored 'Isoleucine or valine' 0 C--N 1.379 1.855 0 N-CA-C 104.607 -2.368 . . . . 0.56999999999999995 104.607 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -124.0 150.02 45.35 Favored 'General case' 0 C--N 1.374 1.635 0 CA-C-O 123.268 1.509 . . . . 0.56999999999999995 110.818 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -142.39 103.54 4.28 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 104.243 -2.503 . . . . 0.91000000000000003 104.243 -165.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.53 158.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 105.841 -1.911 . . . . 0.56999999999999995 105.841 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.25 121.19 2.64 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 106.13 -1.804 . . . . 0.56999999999999995 106.13 165.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -85.12 130.55 34.59 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.413 -1.699 . . . . 0.56999999999999995 106.413 169.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -89.07 -36.21 15.89 Favored 'General case' 0 C--N 1.379 1.879 0 CA-C-O 123.474 1.607 . . . . 0.91000000000000003 108.247 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.23 -95.13 0.1 OUTLIER Glycine 0 C--N 1.385 3.251 0 N-CA-C 106.37 -2.692 . . . . 0.56999999999999995 106.37 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -94.8 -6.63 42.49 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 122.622 1.201 . . . . 0.56999999999999995 110.646 162.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.45 157.16 16.14 Favored 'General case' 0 C--N 1.38 1.905 0 N-CA-C 106.407 -1.701 . . . . 0.56999999999999995 106.407 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -139.05 145.78 40.0 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-O 123.677 1.703 . . . . 0.56999999999999995 109.196 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 142.07 47.18 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 106.443 -1.688 . . . . 0.56999999999999995 106.443 164.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -149.69 130.59 14.27 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 107.505 -1.294 . . . . 0.56999999999999995 107.505 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m -148.19 154.32 39.95 Favored 'General case' 0 C--N 1.373 1.622 0 CA-C-O 123.722 1.725 . . . . 0.56999999999999995 109.109 -175.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -139.07 149.42 44.56 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.468 -1.242 . . . . 0.56999999999999995 108.266 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -105.35 129.69 53.63 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 122.478 1.133 . . . . 0.56999999999999995 108.909 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -100.91 130.49 25.07 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 102.739 -3.06 . . . . 0.56999999999999995 102.739 162.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.79 89.55 1.29 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 121.623 1.549 . . . . 0.56999999999999995 108.865 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.64 32.93 0.27 Allowed Glycine 0 C--N 1.383 3.183 0 CA-C-N 113.445 -1.707 . . . . 0.56999999999999995 115.238 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.26 34.3 14.82 Favored Glycine 0 C--N 1.383 3.15 0 C-N-CA 119.633 -1.27 . . . . 0.56999999999999995 114.08 155.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -141.42 52.74 1.54 Allowed 'General case' 0 C--N 1.374 1.655 0 CA-C-O 123.272 1.511 . . . . 0.56999999999999995 107.115 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 p -69.97 145.75 51.62 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-N 113.248 -1.796 . . . . 0.56999999999999995 109.735 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.6 mm -96.09 149.86 4.55 Favored 'Isoleucine or valine' 0 C--N 1.377 1.793 0 N-CA-C 105.1 -2.185 . . . . 0.56999999999999995 105.1 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -155.66 144.16 20.26 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.964 -1.495 . . . . 0.56999999999999995 106.964 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 143.34 14.84 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.753 -1.573 . . . . 0.56999999999999995 106.753 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.4 m -116.33 143.25 45.79 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 105.317 -2.105 . . . . 0.56999999999999995 105.317 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -157.67 155.6 30.29 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-O 123.353 1.549 . . . . 0.56999999999999995 110.084 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -108.96 141.24 41.33 Favored 'General case' 0 C--N 1.374 1.646 0 N-CA-C 107.056 -1.461 . . . . 0.56999999999999995 107.056 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.9 mm -83.03 142.23 13.84 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 CA-C-O 122.808 1.289 . . . . 0.56999999999999995 109.285 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.69 31.56 Favored Glycine 0 C--N 1.377 2.831 0 CA-C-N 113.499 -1.682 . . . . 0.56999999999999995 114.908 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -156.08 -160.68 1.03 Allowed 'General case' 0 C--N 1.376 1.73 0 CA-C-O 122.632 1.206 . . . . 0.56999999999999995 109.165 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 169.14 18.76 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-O 123.274 1.511 . . . . 0.91000000000000003 109.373 166.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -149.24 166.39 29.04 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 104.745 -2.317 . . . . 0.56999999999999995 104.745 148.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.44 136.59 32.91 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 106.487 -1.671 . . . . 0.91000000000000003 106.487 167.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.9 mm -143.32 145.2 22.82 Favored 'Isoleucine or valine' 0 C--N 1.377 1.787 0 N-CA-C 107.839 -1.171 . . . . 0.56999999999999995 107.839 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.07 154.67 6.18 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 107.709 -1.219 . . . . 0.91000000000000003 107.709 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 t -173.71 24.49 0.01 OUTLIER 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.289 -1.323 . . . . 0.56999999999999995 113.828 136.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.3 mm -136.5 51.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.8 0 CA-C-O 123.823 1.773 . . . . 0.56999999999999995 110.579 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.6 51.08 1.06 Allowed Glycine 0 C--N 1.38 2.983 0 N-CA-C 117.657 1.823 . . . . 0.56999999999999995 117.657 149.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.01 4.04 78.89 Favored Glycine 0 C--N 1.371 2.509 0 CA-C-O 122.615 1.119 . . . . 0.56999999999999995 114.906 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 62.66 6.09 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-O 123.874 1.797 . . . . 0.56999999999999995 107.765 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 76.82 10.0 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.041 -1.89 . . . . 0.56999999999999995 107.465 -175.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -76.56 147.83 37.43 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 113.772 -1.558 . . . . 0.56999999999999995 109.429 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -86.19 129.49 34.83 Favored 'General case' 0 C--N 1.385 2.134 0 N-CA-C 103.694 -2.706 . . . . 0.56999999999999995 103.694 145.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.71 158.21 39.23 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 114.365 -1.289 . . . . 0.56999999999999995 108.291 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -88.23 145.99 25.59 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 114.564 -1.198 . . . . 0.56999999999999995 108.22 172.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 p -149.28 129.86 4.45 Favored 'Isoleucine or valine' 0 C--N 1.376 1.741 0 CA-C-O 124.657 2.17 . . . . 0.56999999999999995 108.459 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -163.57 164.0 24.35 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.951 -1.477 . . . . 0.56999999999999995 108.869 -146.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.76 95.27 5.45 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 105.923 -1.881 . . . . 0.56999999999999995 105.923 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -79.63 53.01 1.51 Allowed 'General case' 0 C--N 1.38 1.926 0 CA-C-O 123.351 1.548 . . . . 0.91000000000000003 110.96 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.64 54.67 3.87 Favored Glycine 0 C--N 1.39 3.552 0 C-N-CA 118.898 -1.62 . . . . 0.56999999999999995 114.156 157.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.31 -6.43 59.5 Favored Glycine 0 C--N 1.38 2.982 0 CA-C-O 123.032 1.351 . . . . 0.56999999999999995 112.403 -173.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.51 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 35.8 mttm -119.03 135.53 54.58 Favored 'General case' 0 C--N 1.369 1.444 0 N-CA-C 105.654 -1.98 . . . . 0.56999999999999995 105.654 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.07 156.64 4.52 Favored 'Isoleucine or valine' 0 C--N 1.367 1.368 0 N-CA-C 105.14 -2.17 . . . . 0.56999999999999995 105.14 158.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -154.37 143.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 122.703 1.24 . . . . 0.56999999999999995 110.791 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.49 137.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.382 1.989 0 N-CA-C 106.14 -1.8 . . . . 0.56999999999999995 106.14 156.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -132.1 143.73 50.22 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-O 122.881 1.324 . . . . 0.56999999999999995 108.42 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.25 169.8 9.88 Favored Pre-proline 0 C--N 1.372 1.573 0 N-CA-C 106.006 -1.849 . . . . 0.56999999999999995 106.006 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.99 -27.88 85.88 Favored 'Trans proline' 0 C--N 1.382 2.329 0 N-CA-C 118.66 2.523 . . . . 0.56999999999999995 118.66 -155.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -139.19 40.18 2.1 Favored 'General case' 0 C--N 1.373 1.599 0 CA-C-O 123.888 1.804 . . . . 0.56999999999999995 110.228 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -156.85 96.6 1.63 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-N 112.814 -1.994 . . . . 0.56999999999999995 107.773 -169.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.53 145.93 28.36 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.71 -1.959 . . . . 0.56999999999999995 105.71 172.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.421 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 19.5 t60 -154.82 90.68 1.32 Allowed 'General case' 0 C--N 1.378 1.844 0 C-N-CA 119.725 -0.79 . . . . 0.56999999999999995 108.892 -175.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.7 p -86.66 159.28 19.24 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 123.052 1.406 . . . . 0.56999999999999995 111.134 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.96 129.56 18.04 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 113.727 -1.579 . . . . 0.56999999999999995 106.871 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.51 ' OE1' ' NZ ' ' A' ' 89' ' ' LYS . 9.1 pt-20 -158.72 153.11 24.16 Favored 'General case' 0 C--N 1.373 1.605 0 CA-C-O 123.573 1.654 . . . . 0.91000000000000003 111.431 -157.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.37 137.82 38.16 Favored 'Isoleucine or valine' 0 C--N 1.373 1.61 0 CA-C-N 114.421 -1.263 . . . . 0.56999999999999995 108.813 -167.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . 0.28 20.2 t -124.24 -119.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.908 0 N-CA-C 106.442 -1.688 . . . . 0.56999999999999995 106.442 170.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.483 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 13.0 p-10 -78.56 40.75 0.38 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 125.313 2.482 . . . . 0.91000000000000003 111.404 -176.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 67.56 16.92 68.23 Favored Glycine 0 C--N 1.378 2.902 0 O-C-N 120.097 -1.627 . . . . 0.56999999999999995 110.336 -169.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.455 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 47.4 mttm -74.22 140.64 45.2 Favored 'General case' 0 C--N 1.393 2.495 0 N-CA-C 104.993 -2.225 . . . . 0.56999999999999995 104.993 146.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.03 102.73 14.56 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 101.184 -3.636 . . . . 0.56999999999999995 101.184 155.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.6 151.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.372 1.554 0 N-CA-C 105.21 -2.144 . . . . 0.56999999999999995 105.21 170.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.421 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 37.2 tt0 -147.53 142.0 26.44 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 105.841 -1.911 . . . . 0.91000000000000003 105.841 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.3 t -140.27 104.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.632 0 N-CA-C 106.46 -1.682 . . . . 0.56999999999999995 106.46 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.29 153.95 29.49 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 123.492 1.615 . . . . 0.56999999999999995 107.508 159.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 15.6 m -153.83 107.42 2.97 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 105.77 -1.937 . . . . 0.56999999999999995 105.77 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.3 159.16 2.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 CA-C-N 112.309 -2.223 . . . . 0.56999999999999995 105.311 170.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.88 91.68 0.35 Allowed Glycine 0 C--N 1.373 2.622 0 N-CA-C 108.947 -1.661 . . . . 0.56999999999999995 108.947 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.92 9.07 7.68 Favored Glycine 0 C--N 1.379 2.965 0 N-CA-C 116.692 1.437 . . . . 0.56999999999999995 116.692 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -169.25 148.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.806 0 CA-C-O 122.547 1.165 . . . . 0.56999999999999995 110.766 158.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 p -87.97 161.7 17.27 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.627 1.679 . . . . 0.56999999999999995 109.273 164.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -152.68 86.37 1.26 Allowed 'General case' 0 C--N 1.373 1.625 0 N-CA-C 105.718 -1.956 . . . . 0.56999999999999995 105.718 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -86.13 147.81 25.98 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 111.596 -2.547 . . . . 0.91000000000000003 107.384 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -152.23 132.22 13.4 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 112.029 -2.351 . . . . 1.2 105.745 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.26 117.54 53.79 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 106.344 -1.724 . . . . 0.56999999999999995 106.344 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.1 m -110.13 156.28 20.8 Favored 'General case' 0 C--N 1.377 1.782 0 CA-C-N 114.435 -1.257 . . . . 0.56999999999999995 108.008 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.483 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 1.8 tmtm? -131.39 153.5 49.6 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 123.443 1.592 . . . . 0.56999999999999995 107.32 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -84.21 70.03 10.51 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 124.074 1.892 . . . . 0.56999999999999995 108.508 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.34 73.61 10.45 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 103.37 -2.826 . . . . 0.56999999999999995 103.37 168.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.569 0 CA-C-N 111.766 -2.47 . . . . 0.66000000000000003 112.316 -164.244 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 120.781 0.324 . . . . 1.0 111.86 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -74.67 160.72 30.44 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.516 1.627 . . . . 1.0 110.31 -175.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.49 14.94 Favored Glycine 0 C--N 1.372 2.529 0 CA-C-N 114.29 -1.323 . . . . 1.0 110.495 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.523 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.9 tttp -99.47 116.73 32.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 105.688 -1.967 . . . . 1.0 105.688 171.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -98.03 150.13 21.72 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 114.073 -1.421 . . . . 1.0 109.151 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -107.7 152.87 23.74 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 113.166 -1.833 . . . . 1.0 106.157 159.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.91 130.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 N-CA-C 105.145 -2.169 . . . . 1.0 105.145 168.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.425 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 23.2 tt0 -82.23 -48.36 11.35 Favored 'General case' 0 C--N 1.376 1.747 0 N-CA-C 107.029 -1.471 . . . . 1.0 107.029 176.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -170.66 154.15 4.37 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-O 121.707 0.765 . . . . 1.0 109.378 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.35 153.24 42.11 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 105.741 -1.948 . . . . 1.0 105.741 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -98.68 -47.88 5.17 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 119.218 -0.993 . . . . 1.0 110.307 -177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -125.47 37.97 4.27 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 124.496 2.093 . . . . 1.0 111.266 -155.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.08 -43.32 87.69 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 112.818 -1.992 . . . . 1.0 109.761 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.77 -51.92 55.16 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 122.449 1.119 . . . . 1.0 108.215 -165.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.3 -21.39 62.08 Favored 'General case' 0 C--N 1.382 2.009 0 CA-C-N 114.813 -1.085 . . . . 1.0 113.063 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 122.314 1.054 . . . . 1.0 108.502 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.4 mmm -66.0 -23.79 66.64 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 121.915 0.864 . . . . 1.0 110.23 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-O 122.91 1.338 . . . . 1.0 108.871 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -73.02 -15.07 61.53 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 122.329 1.062 . . . . 1.0 112.971 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 -5.27 59.2 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-N 115.358 -0.837 . . . . 1.0 112.873 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.629 0 CA-C-O 123.662 1.696 . . . . 1.0 110.252 169.773 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 CA--C 1.543 0.706 0 CA-C-O 121.688 0.756 . . . . 1.0 109.066 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.29 4.0 p30 -76.79 -9.97 59.05 Favored 'General case' 0 C--N 1.374 1.632 0 N-CA-C 115.078 1.51 . . . . 1.0 115.078 -167.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.41 -9.44 59.6 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 118.847 -1.141 . . . . 1.0 111.127 170.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.86 36.81 3.07 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 123.026 1.393 . . . . 1.0 112.719 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.6 82.17 2.02 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 123.522 1.629 . . . . 1.0 109.21 171.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 88.98 29.8 0.02 OUTLIER 'General case' 0 C--N 1.379 1.887 0 CA-C-N 112.976 -1.92 . . . . 1.0 113.498 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -91.75 155.29 18.37 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 123.814 1.769 . . . . 1.0 110.878 164.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -88.74 107.17 18.81 Favored 'General case' 0 C--N 1.378 1.84 0 N-CA-C 104.183 -2.525 . . . . 1.0 104.183 168.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.17 146.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-O 123.61 1.671 . . . . 1.0 107.117 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.65 158.66 4.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 N-CA-C 106.068 -1.826 . . . . 1.0 106.068 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 141.07 25.08 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 121.439 -0.788 . . . . 1.0 109.656 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.523 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 5.2 mp0 -102.36 149.37 24.42 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 107.638 -1.245 . . . . 1.0 107.638 157.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -136.19 141.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 106.304 -1.739 . . . . 1.0 106.304 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 26.7 ttpp -141.06 142.09 34.2 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 106.546 -1.65 . . . . 1.0 106.546 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -112.88 98.19 7.03 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.6 m-20 -87.01 67.11 9.69 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-O 124.49 2.09 . . . . 1.0 106.237 -176.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.0 -111.86 4.06 Favored Glycine 0 C--N 1.381 3.059 0 CA-C-N 113.804 -1.543 . . . . 1.0 110.039 -170.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -95.15 -14.05 24.49 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.569 -1.316 . . . . 1.0 112.32 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -81.11 155.57 26.2 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 107.112 -1.44 . . . . 1.0 107.112 166.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -131.75 126.0 33.37 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 105.498 -2.038 . . . . 1.0 105.498 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.5 m -96.15 143.58 27.15 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 106.221 -1.77 . . . . 1.0 106.221 164.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -149.29 110.77 4.47 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 107.025 -1.472 . . . . 1.0 107.025 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.9 t -103.06 144.6 31.08 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 122.186 0.994 . . . . 1.0 109.317 171.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.94 149.72 38.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 106.725 -1.583 . . . . 1.0 106.725 162.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -139.77 132.31 28.7 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.205 1.479 . . . . 1.0 108.141 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.83 134.03 31.19 Favored Pre-proline 0 C--N 1.375 1.684 0 N-CA-C 103.927 -2.62 . . . . 1.0 103.927 169.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -80.73 76.21 4.64 Favored 'Trans proline' 0 C--N 1.371 1.736 0 CA-C-O 124.386 1.744 . . . . 1.0 107.787 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -175.83 -69.82 0.05 OUTLIER Glycine 0 C--N 1.38 2.979 0 CA-C-N 113.327 -1.76 . . . . 1.0 110.91 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.76 17.13 0.04 OUTLIER Glycine 0 C--N 1.39 3.572 0 C-N-CA 116.784 -2.627 . . . . 1.0 117.851 -168.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -134.59 161.51 34.89 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 107.003 -1.48 . . . . 1.0 107.003 165.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -162.18 151.32 15.58 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 106.763 -1.569 . . . . 1.0 106.763 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.9 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 N-CA-C 104.235 -2.505 . . . . 1.0 104.235 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 t -142.55 164.06 31.14 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 108.636 -0.875 . . . . 1.0 108.636 160.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.37 149.34 17.13 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 m -110.8 144.4 39.86 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.306 -1.738 . . . . 1.0 106.306 165.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -151.27 165.18 34.78 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-O 122.321 1.057 . . . . 1.0 108.473 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -118.71 139.73 51.07 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-O 122.464 1.126 . . . . 1.0 109.445 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.1 mm -78.06 139.0 19.26 Favored 'Isoleucine or valine' 0 C--N 1.377 1.768 0 N-CA-C 107.324 -1.362 . . . . 1.0 107.324 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.75 47.38 Favored Glycine 0 C--N 1.378 2.915 0 CA-C-N 115.224 -0.898 . . . . 1.0 113.543 173.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.562 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.3 tttm -154.18 169.07 24.47 Favored 'General case' 0 C--N 1.373 1.598 0 CA-C-O 122.933 1.349 . . . . 1.0 107.874 -174.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -83.37 168.14 16.88 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-O 123.523 1.63 . . . . 1.0 108.545 157.377 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 p -155.11 163.44 40.25 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-N 113.996 -1.457 . . . . 1.0 107.302 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.86 119.41 39.36 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 104.423 -2.436 . . . . 1.0 104.423 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -101.81 145.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.374 1.631 0 N-CA-C 105.356 -2.091 . . . . 1.0 105.356 166.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -140.35 173.09 11.85 Favored 'General case' 0 C--N 1.375 1.691 0 CA-C-O 123.441 1.591 . . . . 1.0 108.35 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.317 4.2 p 84.59 -147.75 0.01 OUTLIER 'General case' 0 C--N 1.376 1.718 0 CA-C-N 113.996 -1.457 . . . . 1.0 109.651 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.263 43.8 mm 55.98 45.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.169 0 CA-C-O 125.254 2.454 . . . . 1.0 109.357 172.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.91 7.96 55.97 Favored Glycine 0 C--N 1.382 3.12 0 CA-C-N 112.831 -1.986 . . . . 1.0 114.287 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.59 27.9 Favored Glycine 0 C--N 1.377 2.847 0 CA-C-O 122.344 0.969 . . . . 1.0 114.623 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 105.99 18.14 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 106.873 -1.528 . . . . 1.0 106.873 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -81.01 114.93 20.22 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 104.987 -2.227 . . . . 1.0 104.987 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.11 124.18 39.99 Favored 'General case' 0 C--N 1.371 1.52 0 N-CA-C 107.322 -1.362 . . . . 1.0 107.322 -177.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -75.98 154.92 35.48 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.653 1.692 . . . . 1.0 109.128 161.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -157.51 149.96 22.81 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-N 112.788 -2.006 . . . . 1.0 108.509 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -106.76 144.44 33.41 Favored 'General case' 0 C--N 1.375 1.69 0 N-CA-C 107.077 -1.453 . . . . 1.0 107.077 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.24 131.52 55.18 Favored 'Isoleucine or valine' 0 C--N 1.374 1.664 0 CA-C-O 123.77 1.748 . . . . 1.0 108.776 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -126.85 170.07 12.59 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 124.028 1.871 . . . . 1.0 108.227 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.4 ttt -132.02 147.74 52.47 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 105.292 -2.114 . . . . 1.0 105.292 170.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.375 0.0 OUTLIER -101.16 -148.8 0.37 Allowed 'General case' 0 C--N 1.374 1.663 0 N-CA-C 107.874 -1.158 . . . . 1.0 107.874 151.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.45 -39.15 15.55 Favored Glycine 0 C--N 1.371 2.526 0 C-N-CA 119.59 -1.29 . . . . 1.0 115.366 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.16 -11.31 37.03 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.176 -0.512 . . . . 1.0 114.368 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -144.12 131.73 21.16 Favored 'General case' 0 C--N 1.381 1.95 0 CA-C-O 122.854 1.312 . . . . 1.0 111.117 -156.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -87.84 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.378 1.843 0 N-CA-C 106.229 -1.767 . . . . 1.0 106.229 165.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.04 108.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.666 0 CA-C-O 123.245 1.497 . . . . 1.0 108.547 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.04 148.09 4.88 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 N-CA-C 106.517 -1.66 . . . . 1.0 106.517 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -147.29 151.99 37.54 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.172 -1.788 . . . . 1.0 106.172 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.25 168.55 6.52 Favored Pre-proline 0 C--N 1.367 1.366 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -80.86 3.27 7.91 Favored 'Trans proline' 0 C--N 1.38 2.191 0 N-CA-C 115.418 1.276 . . . . 1.0 115.418 -163.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.34 38.55 0.14 Allowed 'General case' 0 C--N 1.377 1.792 0 CA-C-O 124.653 2.168 . . . . 1.0 108.002 164.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -162.74 148.44 12.29 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-N 113.788 -1.551 . . . . 1.0 108.493 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -151.67 145.26 24.93 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 105.743 -1.947 . . . . 1.0 105.743 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.542 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 42.0 t60 -151.47 156.01 39.73 Favored 'General case' 0 C--N 1.373 1.617 0 N-CA-C 107.32 -1.363 . . . . 1.0 107.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.79 139.46 10.12 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 105.797 -1.927 . . . . 1.0 105.797 -162.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.6 119.29 3.68 Favored 'General case' 0 C--N 1.375 1.717 0 O-C-N 124.049 0.843 . . . . 1.0 110.021 -163.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -139.77 155.92 47.04 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-O 122.696 1.236 . . . . 1.0 113.48 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.5 mm -105.84 137.51 35.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.808 0 CA-C-N 114.193 -1.367 . . . . 1.0 111.186 -171.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -121.82 -115.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.383 2.038 0 N-CA-C 106.013 -1.847 . . . . 1.0 106.013 169.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.96 46.86 0.83 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 125.357 2.503 . . . . 1.0 111.621 -173.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.8 3.69 36.41 Favored Glycine 0 C--N 1.38 3.014 0 CA-C-N 114.054 -1.43 . . . . 1.0 111.962 -164.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 6.3 tppt? -73.58 127.19 32.08 Favored 'General case' 0 C--N 1.374 1.64 0 N-CA-C 103.764 -2.68 . . . . 1.0 103.764 164.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.62 101.12 10.97 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 103.379 -2.823 . . . . 1.0 103.379 169.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.12 144.52 11.17 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 N-CA-C 105.179 -2.156 . . . . 1.0 105.179 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.542 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 2.3 mt-10 -143.57 146.24 33.16 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 122.96 1.362 . . . . 1.0 110.035 -176.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.9 t -143.3 126.54 13.32 Favored 'Isoleucine or valine' 0 C--N 1.38 1.916 0 N-CA-C 106.842 -1.54 . . . . 1.0 106.842 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -108.63 163.82 12.9 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.886 1.803 . . . . 1.0 110.721 166.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.4 m -153.06 111.47 3.68 Favored 'General case' 0 C--N 1.372 1.552 0 N-CA-C 105.76 -1.941 . . . . 1.0 105.76 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.82 175.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.373 1.601 0 N-CA-C 106.07 -1.826 . . . . 1.0 106.07 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.33 89.5 0.27 Allowed Glycine 0 C--N 1.374 2.644 0 CA-C-O 123.057 1.365 . . . . 1.0 110.014 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.64 -8.98 10.79 Favored Glycine 0 C--N 1.379 2.955 0 N-CA-C 117.528 1.771 . . . . 1.0 117.528 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.7 t -145.19 141.1 22.81 Favored 'Isoleucine or valine' 0 C--N 1.375 1.705 0 CA-C-O 122.562 1.173 . . . . 1.0 108.476 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.3 p -98.0 156.82 16.45 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.73 1.253 . . . . 1.0 109.165 162.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -155.06 117.94 4.35 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 106.61 -1.626 . . . . 1.0 106.61 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -119.81 152.45 37.25 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 124.158 1.933 . . . . 1.0 110.961 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -155.99 164.14 38.84 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-N 112.696 -2.047 . . . . 1.0 111.649 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.32 118.22 52.0 Favored 'Isoleucine or valine' 0 C--N 1.372 1.568 0 CA-C-N 112.722 -2.035 . . . . 1.0 106.546 170.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.0 m -102.04 168.06 9.64 Favored 'General case' 0 C--N 1.377 1.773 0 CA-C-O 123.265 1.507 . . . . 1.0 108.677 163.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -147.21 123.2 10.72 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.65 -1.611 . . . . 1.0 106.65 -170.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -75.96 118.88 19.2 Favored 'General case' 0 C--N 1.378 1.843 0 N-CA-C 105.681 -1.97 . . . . 1.0 105.681 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.5 tp -142.22 7.9 1.8 Allowed 'General case' 0 C--N 1.376 1.725 0 CA-C-O 123.991 1.853 . . . . 1.0 110.888 -170.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.668 0 CA-C-O 127.932 3.73 . . . . 1.0 110.838 -174.53 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 CA--C 1.539 0.526 0 CA-C-O 121.053 0.454 . . . . 1.0 111.25 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -65.29 150.03 48.94 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-O 122.897 1.332 . . . . 1.0 111.9 -159.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -172.15 22.03 Favored Glycine 0 C--N 1.379 2.937 0 CA-C-O 122.912 1.284 . . . . 1.0 114.042 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -94.61 145.8 24.57 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.255 -1.473 . . . . 1.0 107.178 173.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.97 166.76 24.04 Favored 'General case' 0 C--N 1.37 1.493 0 CA-C-O 123.998 1.856 . . . . 1.0 109.609 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.474 ' OE1' ' NZ ' ' A' ' 124' ' ' LYS . 3.4 tm-20 -151.84 136.34 16.9 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 113.482 -1.69 . . . . 1.0 108.865 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.6 mt -86.68 135.04 26.01 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-N 113.712 -1.586 . . . . 1.0 110.571 -167.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.76 -51.28 8.82 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-N 113.19 -1.823 . . . . 1.0 109.16 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.3 t -167.73 170.75 10.65 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-O 123.063 1.411 . . . . 1.0 109.827 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -130.69 89.91 2.83 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-N 112.577 -2.102 . . . . 1.0 105.742 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -80.56 43.41 0.66 Allowed 'General case' 0 C--N 1.381 1.949 0 N-CA-C 115.207 1.558 . . . . 1.0 115.207 -166.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -164.21 -81.79 0.03 OUTLIER 'General case' 0 C--N 1.375 1.69 0 N-CA-C 106.436 -1.69 . . . . 1.0 106.436 157.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.3 t80 71.1 -55.32 0.65 Allowed 'General case' 0 C--N 1.375 1.715 0 C-N-CA 125.622 1.569 . . . . 1.0 110.387 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.416 ' OD1' ' NZ ' ' A' ' 19' ' ' LYS . 13.5 t70 -69.88 -53.63 17.14 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-O 122.591 1.186 . . . . 1.0 108.357 -163.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -75.46 -5.23 44.0 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-N 115.257 -0.883 . . . . 1.0 113.03 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.08 -51.82 8.55 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 122.5 1.143 . . . . 1.0 108.734 166.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.29 -30.38 69.37 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 122.222 1.011 . . . . 1.0 110.404 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' NZ ' ' OD1' ' A' ' 15' ' ' ASP . 30.7 mttp -68.05 -38.78 82.85 Favored 'General case' 0 C--N 1.384 2.074 0 CA-C-O 123.854 1.788 . . . . 1.0 108.431 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -28.12 65.7 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-N 113.11 -1.859 . . . . 1.0 113.21 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -76.97 -17.59 58.78 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.5 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.655 0 C-N-CA 126.013 1.725 . . . . 1.0 112.549 179.244 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt . . . . . 0 CA--C 1.55 0.973 0 N-CA-C 107.164 -1.421 . . . . 1.0 107.164 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -30.81 64.37 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.746 -161.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -77.61 -19.05 56.18 Favored 'General case' 0 C--N 1.377 1.781 0 CA-C-N 115.114 -0.948 . . . . 1.0 112.026 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.92 -29.37 13.35 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 114.892 1.441 . . . . 1.0 114.892 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -76.36 29.05 0.12 Allowed 'General case' 0 C--N 1.382 1.997 0 N-CA-C 117.199 2.296 . . . . 1.0 117.199 -156.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.89 32.99 0.26 Allowed 'General case' 0 C--N 1.37 1.479 0 CA-C-O 123.761 1.743 . . . . 1.0 109.32 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.4 mt -98.27 168.42 10.24 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.515 2.103 . . . . 1.0 112.229 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -139.14 91.17 2.49 Favored 'General case' 0 C--N 1.381 1.961 0 CA-C-N 112.402 -2.181 . . . . 1.0 105.937 -177.564 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.42 149.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 CA-C-N 113.132 -1.849 . . . . 1.0 110.178 -172.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mm -99.77 154.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.385 2.137 0 N-CA-C 106.266 -1.753 . . . . 1.0 106.266 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.9 147.43 27.19 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.552 1.168 . . . . 1.0 113.674 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.62 155.3 30.11 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.2 113.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.498 0 CA-C-O 123.223 1.487 . . . . 1.0 107.054 164.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -101.76 141.43 34.64 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-N 113.197 -1.819 . . . . 1.0 106.148 172.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -93.32 145.12 24.69 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 106.366 -1.716 . . . . 1.0 106.366 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -110.09 -34.59 6.35 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-O 122.346 1.069 . . . . 1.0 109.141 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.94 -103.63 0.18 Allowed Glycine 0 C--N 1.378 2.892 0 N-CA-C 107.729 -2.148 . . . . 1.0 107.729 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -80.61 -16.96 52.78 Favored 'General case' 0 C--N 1.381 1.935 0 CA-C-O 123.396 1.57 . . . . 1.0 109.278 162.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.41 153.88 18.25 Favored 'General case' 0 C--N 1.372 1.546 0 CA-C-O 122.909 1.338 . . . . 1.0 109.19 177.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.52 155.66 42.01 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 113.193 -1.821 . . . . 1.0 106.463 169.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.5 m -123.36 103.15 8.31 Favored 'General case' 0 C--N 1.369 1.429 0 N-CA-C 105.347 -2.094 . . . . 1.0 105.347 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -93.15 145.65 24.25 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.927 -1.942 . . . . 1.0 106.282 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.2 t -147.88 146.11 28.93 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-O 122.43 1.109 . . . . 1.0 108.278 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.65 131.64 45.0 Favored 'General case' 0 C--N 1.371 1.521 0 N-CA-C 106.562 -1.644 . . . . 1.0 106.562 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.61 119.03 34.34 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 106.489 -1.671 . . . . 1.0 106.489 164.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -77.33 151.46 80.94 Favored Pre-proline 0 C--N 1.377 1.775 0 N-CA-C 104.377 -2.453 . . . . 1.0 104.377 166.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -72.25 95.02 0.75 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 CA-C-O 124.542 1.809 . . . . 1.0 110.097 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.24 -55.49 4.94 Favored Glycine 0 C--N 1.381 3.029 0 CA-C-N 112.821 -1.991 . . . . 1.0 113.226 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.52 -9.16 87.26 Favored Glycine 0 C--N 1.382 3.091 0 N-CA-C 117.185 1.634 . . . . 1.0 117.185 -156.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.77 167.25 6.42 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.432 1.587 . . . . 1.0 109.64 176.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.2 p -113.03 161.7 16.74 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 106.68 -1.6 . . . . 1.0 106.68 152.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.9 mt -129.48 142.03 44.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 N-CA-C 102.378 -3.194 . . . . 1.0 102.378 169.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -163.5 148.06 10.83 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.903 -1.748 . . . . 1.0 108.03 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 144.44 20.47 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 107.716 -1.216 . . . . 1.0 107.716 164.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.0 m -84.36 146.89 27.46 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 104.936 -2.246 . . . . 1.0 104.936 160.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -151.97 159.92 43.63 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 108.111 -1.07 . . . . 1.0 108.111 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -132.57 131.77 41.85 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-O 122.555 1.169 . . . . 1.0 111.151 -174.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.81 114.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.772 0 CA-C-N 114.537 -1.211 . . . . 1.0 108.468 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.79 -6.6 57.14 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 114.336 -1.302 . . . . 1.0 115.723 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 24.3 tttm -100.95 161.41 13.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-O 122.882 1.325 . . . . 1.0 108.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -76.9 150.69 35.98 Favored 'General case' 0 C--N 1.385 2.126 0 CA-C-O 123.971 1.843 . . . . 1.0 109.156 154.035 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 74.4 m -136.0 158.34 44.65 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 106.759 -1.571 . . . . 1.0 106.759 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.97 140.11 30.11 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 104.053 -2.573 . . . . 1.0 104.053 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.0 mm -149.87 132.48 6.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.502 0 N-CA-C 106.944 -1.502 . . . . 1.0 106.944 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -162.19 168.79 21.89 Favored 'General case' 0 C--N 1.374 1.642 0 CA-C-O 123.162 1.458 . . . . 1.0 107.263 149.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.17 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.367 1.352 0 CA-C-N 113.705 -1.589 . . . . 1.0 115.242 171.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.95 -29.43 5.22 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 CA-C-O 121.848 0.832 . . . . 1.0 112.483 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.36 -6.93 4.59 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.381 -0.827 . . . . 1.0 113.818 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.25 -12.34 55.08 Favored Glycine 0 C--N 1.374 2.683 0 N-CA-C 116.826 1.491 . . . . 1.0 116.826 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -86.22 25.99 1.1 Allowed 'General case' 0 C--N 1.374 1.659 0 N-CA-C 116.446 2.017 . . . . 1.0 116.446 -160.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 72' ' ' GLU . 53.7 tttp 49.35 72.19 0.32 Allowed 'General case' 0 C--N 1.375 1.691 0 CA-C-N 113.142 -1.844 . . . . 1.0 113.741 163.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 155.61 33.63 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 123.929 1.823 . . . . 1.0 111.296 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -90.79 156.52 17.99 Favored 'General case' 0 C--N 1.385 2.131 0 CA-C-N 113.675 -1.602 . . . . 1.0 106.836 161.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.49 141.73 20.52 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 114.667 -1.151 . . . . 1.0 109.052 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -92.43 114.28 26.79 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 105.775 -1.935 . . . . 1.0 105.775 167.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.9 t -99.1 138.25 24.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 CA-C-O 123.586 1.66 . . . . 1.0 107.012 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -156.99 167.44 30.47 Favored 'General case' 0 C--N 1.374 1.671 0 CA-C-O 124.785 2.231 . . . . 1.0 110.1 -162.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.39 135.15 47.3 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 103.277 -2.86 . . . . 1.0 103.277 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.57 ' OE2' ' NE2' ' A' ' 98' ' ' HIS . 2.6 tt0 -105.18 3.78 30.56 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 122.616 1.198 . . . . 1.0 110.214 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.79 87.17 1.98 Allowed Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.86 1.256 . . . . 1.0 111.38 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.27 70.78 Favored Glycine 0 C--N 1.388 3.465 0 CA-C-N 113.66 -1.27 . . . . 1.0 114.756 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 4.6 ttmp? -173.65 101.84 0.11 Allowed 'General case' 0 C--N 1.374 1.673 0 N-CA-C 102.227 -3.249 . . . . 1.0 102.227 -133.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -81.45 156.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.466 0 N-CA-C 106.927 -1.509 . . . . 1.0 106.927 -175.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.4 p -149.47 139.9 16.49 Favored 'Isoleucine or valine' 0 C--N 1.377 1.798 0 CA-C-O 123.944 1.831 . . . . 1.0 111.801 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -112.35 103.12 14.94 Favored 'Isoleucine or valine' 0 C--N 1.376 1.733 0 N-CA-C 103.726 -2.694 . . . . 1.0 103.726 164.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -94.21 154.93 17.3 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 106.836 -1.542 . . . . 1.0 106.836 171.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.55 170.71 3.53 Favored Pre-proline 0 C--N 1.371 1.528 0 O-C-N 121.253 -0.904 . . . . 1.0 110.036 -167.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -62.21 103.9 0.32 Allowed 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.591 1.413 . . . . 1.0 111.516 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 67.36 32.7 5.72 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 123.558 1.647 . . . . 1.0 111.039 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -162.72 131.31 4.02 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 114.435 -1.257 . . . . 1.0 108.102 -169.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.57 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 8.7 t60 -144.06 135.74 26.04 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 106.196 -1.779 . . . . 1.0 106.196 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -142.7 111.94 6.6 Favored 'General case' 0 C--N 1.374 1.655 0 N-CA-C 107.058 -1.46 . . . . 1.0 107.058 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 p -96.59 161.45 13.89 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-O 123.346 1.546 . . . . 1.0 110.846 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.18 155.27 46.51 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 113.43 -1.714 . . . . 1.0 108.597 161.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 1.1 mm-40 -148.31 156.41 42.5 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 114.705 -1.134 . . . . 1.0 109.369 -168.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.0 mm -120.65 99.39 7.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.658 0 CA-C-O 123.484 1.611 . . . . 1.0 107.948 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -83.46 -161.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.386 2.162 0 N-CA-C 104.711 -2.329 . . . . 1.0 104.711 162.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.68 78.33 0.07 Allowed 'General case' 0 C--N 1.378 1.812 0 CA-C-O 124.929 2.3 . . . . 1.0 111.7 -165.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 67.49 3.81 28.09 Favored Glycine 0 C--N 1.386 3.355 0 CA-C-N 113.054 -1.885 . . . . 1.0 115.146 -172.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -92.23 125.93 37.1 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 105.331 -2.1 . . . . 1.0 105.331 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.2 tp -92.16 105.05 17.36 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 105.144 -2.169 . . . . 1.0 105.144 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.37 153.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 CA-C-O 123.212 1.482 . . . . 1.0 108.024 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -132.8 156.58 46.85 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 114.12 -1.4 . . . . 1.0 108.939 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.8 t -141.45 132.53 27.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 171.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 m -108.87 154.49 22.04 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 122.162 0.982 . . . . 1.0 109.356 159.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 94.0 m -144.29 128.62 17.85 Favored 'General case' 0 C--N 1.375 1.699 0 N-CA-C 106.062 -1.829 . . . . 1.0 106.062 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.03 47.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 CA-C-O 125.173 2.416 . . . . 1.0 108.18 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.95 -79.04 1.73 Allowed Glycine 0 C--N 1.379 2.936 0 CA-C-N 113.218 -1.81 . . . . 1.0 110.063 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.75 1.39 63.59 Favored Glycine 0 C--N 1.376 2.775 0 N-CA-C 116.569 1.388 . . . . 1.0 116.569 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.5 t -144.14 148.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.373 1.599 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -112.52 167.35 10.52 Favored 'General case' 0 C--N 1.38 1.919 0 CA-C-O 123.849 1.785 . . . . 1.0 109.676 166.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -158.87 98.23 1.47 Allowed 'General case' 0 C--N 1.373 1.591 0 N-CA-C 105.83 -1.915 . . . . 1.0 105.83 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -97.31 155.6 16.81 Favored 'General case' 0 C--N 1.373 1.611 0 CA-C-O 123.824 1.773 . . . . 1.0 108.82 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -151.48 143.86 24.14 Favored 'General case' 0 C--N 1.375 1.683 0 CA-C-N 113.466 -1.697 . . . . 1.0 107.131 -168.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 42.0 t -127.78 136.57 60.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.84 0 CA-C-O 122.279 1.038 . . . . 1.0 108.28 -174.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.0 166.28 25.08 Favored 'General case' 0 C--N 1.376 1.76 0 CA-C-O 123.259 1.504 . . . . 1.0 109.639 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.474 ' NZ ' ' OE1' ' A' ' 7' ' ' GLU . 0.4 OUTLIER -142.48 163.11 33.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-O 122.799 1.285 . . . . 1.0 109.272 174.507 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -86.35 138.35 31.88 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-N 114.097 -1.41 . . . . 1.0 110.201 -168.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.9 mt -101.57 49.69 0.86 Allowed 'General case' 0 C--N 1.379 1.855 0 CA-C-O 124.648 2.166 . . . . 1.0 109.51 172.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.526 0 CA-C-O 125.168 2.414 . . . . 1.0 107.797 170.011 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.621 0.6 . . . . 1.0 112.621 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.3 m -62.27 152.9 32.27 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-O 124.481 2.086 . . . . 1.0 111.757 -162.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.55 -178.53 19.28 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 113.737 -1.574 . . . . 1.0 112.831 169.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 42.7 tttp -90.3 149.52 22.31 Favored 'General case' 0 C--N 1.38 1.93 0 N-CA-C 105.829 -1.915 . . . . 1.0 105.829 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -141.36 152.55 44.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 107.917 -1.142 . . . . 1.0 107.917 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 1.8 tt0 -127.11 161.83 27.53 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 108.067 -1.086 . . . . 1.0 108.067 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.9 mt -81.73 134.64 26.63 Favored 'Isoleucine or valine' 0 C--N 1.375 1.685 0 CA-C-O 123.237 1.494 . . . . 1.0 110.606 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -86.49 -51.23 6.32 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-N 113.524 -1.671 . . . . 1.0 109.347 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -164.32 159.19 19.57 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.414 1.102 . . . . 1.0 111.11 -168.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -149.93 168.98 22.25 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 126.7 2.0 . . . . 1.0 107.104 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -141.16 -38.99 0.41 Allowed 'General case' 0 C--N 1.383 2.063 0 CA-C-N 114.56 -1.2 . . . . 1.0 111.657 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -114.07 14.83 18.39 Favored 'General case' 0 C--N 1.382 1.988 0 CA-C-O 122.61 1.195 . . . . 1.0 114.087 -157.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -61.13 -46.45 90.51 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 122.63 1.205 . . . . 1.0 109.795 -166.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' OD1' ' NZ ' ' A' ' 19' ' ' LYS . 17.0 t70 -68.52 -45.14 73.06 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-O 123.216 1.484 . . . . 1.0 107.773 -167.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -65.49 -34.04 77.33 Favored 'General case' 0 C--N 1.385 2.138 0 CA-C-N 114.113 -1.403 . . . . 1.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.05 -45.57 76.98 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-O 122.368 1.08 . . . . 1.0 109.067 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 64.7 mmm -68.64 -26.64 65.43 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.79 0.805 . . . . 1.0 110.618 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' NZ ' ' OD1' ' A' ' 15' ' ' ASP . 34.9 mttp -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 122.307 1.051 . . . . 1.0 110.018 176.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -70.95 -31.2 67.71 Favored 'General case' 0 C--N 1.384 2.097 0 CA-C-N 115.043 -0.98 . . . . 1.0 112.813 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.5 -30.05 61.66 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.758 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.376 1.721 0 CA-C-O 123.646 1.688 . . . . 1.0 112.607 175.023 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.5 mt . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 108.173 -1.047 . . . . 1.0 108.173 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.456 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 38.6 t70 -62.59 -39.89 95.16 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-O 122.941 1.353 . . . . 1.0 110.05 -166.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 16.95 1.09 Allowed 'General case' 0 C--N 1.378 1.815 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.26 13.13 4.22 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 114.789 1.403 . . . . 1.0 114.789 158.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' NH1' ' OD1' ' A' ' 29' ' ' ASP . 63.4 mtt180 -73.53 142.16 46.71 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-O 124.881 2.276 . . . . 1.0 111.005 173.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.78 98.02 11.53 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 104.371 -2.455 . . . . 1.0 104.371 -65.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.59 157.41 36.72 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 124.628 2.156 . . . . 1.0 110.423 -171.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 6.7 mtpm? -79.35 86.42 5.08 Favored 'General case' 0 C--N 1.384 2.079 0 N-CA-C 106.166 -1.79 . . . . 1.0 106.166 172.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -72.38 137.53 23.34 Favored 'Isoleucine or valine' 0 C--N 1.38 1.896 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.55 148.2 10.3 Favored 'Isoleucine or valine' 0 C--N 1.376 1.753 0 N-CA-C 104.231 -2.507 . . . . 1.0 104.231 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.44 150.33 47.54 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-O 123.025 1.393 . . . . 1.0 111.233 -178.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -124.17 151.03 44.51 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 106.363 -1.718 . . . . 1.0 106.363 176.526 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.64 133.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.371 1.542 0 CA-C-N 113.968 -1.469 . . . . 1.0 108.416 164.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.572 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 44.3 tttm -118.27 142.98 46.93 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 113.721 -1.582 . . . . 1.0 106.865 167.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -94.55 145.75 24.59 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-N 114.569 -1.196 . . . . 1.0 108.272 166.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.572 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 34.4 m-20 -145.5 51.84 1.19 Allowed 'General case' 0 C--N 1.375 1.69 0 CA-C-O 124.415 2.055 . . . . 1.0 106.246 -163.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.98 36.77 56.94 Favored Glycine 0 C--N 1.388 3.471 0 C-N-CA 118.347 -1.882 . . . . 1.0 112.677 163.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 96.62 -19.99 0.05 Allowed 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.22 1.808 . . . . 1.0 111.635 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -79.22 155.69 28.49 Favored 'General case' 0 C--N 1.38 1.917 0 N-CA-C 107.357 -1.349 . . . . 1.0 107.357 156.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -131.86 135.15 46.47 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 104.677 -2.342 . . . . 1.0 104.677 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.0 m -113.71 103.82 11.61 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 105.532 -2.025 . . . . 1.0 105.532 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -100.57 157.89 16.33 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 124.271 1.986 . . . . 1.0 108.901 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -157.23 149.4 22.76 Favored 'General case' 0 C--N 1.374 1.633 0 O-C-N 120.26 -1.525 . . . . 1.0 111.427 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -120.78 128.46 52.91 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 104.674 -2.343 . . . . 1.0 104.674 166.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.75 129.56 34.82 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-O 122.442 1.115 . . . . 1.0 108.785 168.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -95.4 126.46 45.82 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 105.729 -1.952 . . . . 1.0 105.729 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -71.73 62.11 3.01 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.027 1.818 . . . . 1.0 114.514 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.12 34.17 0.09 OUTLIER Glycine 0 C--N 1.379 2.955 0 CA-C-O 123.371 1.539 . . . . 1.0 111.006 -168.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.89 23.73 40.73 Favored Glycine 0 C--N 1.385 3.293 0 C-N-CA 119.72 -1.229 . . . . 1.0 114.488 162.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.95 162.99 34.53 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 123.728 1.728 . . . . 1.0 110.566 166.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 p -109.68 159.64 16.97 Favored 'General case' 0 C--N 1.371 1.513 0 CA-C-N 113.598 -1.637 . . . . 1.0 108.076 160.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.85 99.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 N-CA-C 101.891 -3.374 . . . . 1.0 101.891 158.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.8 m -105.01 148.69 26.47 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-N 114.297 -1.32 . . . . 1.0 107.641 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.84 142.79 15.34 Favored 'General case' 0 C--N 1.374 1.645 0 N-CA-C 108.769 -0.826 . . . . 1.0 108.769 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -112.04 144.05 42.03 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 162.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -146.97 155.26 42.12 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-O 122.786 1.279 . . . . 1.0 109.121 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -115.3 120.76 40.72 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 122.871 1.319 . . . . 1.0 107.668 -176.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.28 139.14 19.56 Favored 'Isoleucine or valine' 0 C--N 1.375 1.701 0 CA-C-O 122.966 1.365 . . . . 1.0 110.117 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.59 42.37 Favored Glycine 0 C--N 1.381 3.048 0 CA-C-N 113.998 -1.455 . . . . 1.0 115.666 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 8.2 ptmm? -152.94 -174.97 5.12 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 122.379 1.085 . . . . 1.0 109.263 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.439 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -84.27 154.83 22.74 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 123.359 1.552 . . . . 1.0 109.498 161.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.8 m -130.59 157.6 42.27 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 106.329 -1.73 . . . . 1.0 106.329 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.58 149.48 24.91 Favored 'General case' 0 C--N 1.372 1.582 0 N-CA-C 106.022 -1.844 . . . . 1.0 106.022 171.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.4 mm -142.15 144.79 24.69 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 N-CA-C 107.151 -1.426 . . . . 1.0 107.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.94 64.18 0.58 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-O 125.317 2.484 . . . . 1.0 111.593 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.9 p -137.5 169.78 17.2 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-N 113.022 -1.899 . . . . 1.0 110.123 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm 65.87 57.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 CA-C-O 123.859 1.79 . . . . 1.0 108.272 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.25 -25.99 1.4 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 114.063 -1.426 . . . . 1.0 113.254 166.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.74 45.55 6.73 Favored Glycine 0 C--N 1.383 3.165 0 CA-C-O 123.267 1.481 . . . . 1.0 110.078 -165.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -134.99 158.72 43.61 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 107.265 -1.383 . . . . 1.0 107.265 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -94.84 151.9 18.85 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 114.39 -1.277 . . . . 1.0 108.052 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.64 156.14 38.67 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.32 1.534 . . . . 1.0 107.231 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -108.22 158.83 17.11 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 106.727 -1.582 . . . . 1.0 106.727 162.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.77 137.3 21.21 Favored 'General case' 0 C--N 1.371 1.528 0 CA-C-N 115.18 -0.918 . . . . 1.0 109.402 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.69 148.96 22.99 Favored 'General case' 0 C--N 1.378 1.833 0 N-CA-C 107.469 -1.308 . . . . 1.0 107.469 167.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -155.45 137.65 6.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 123.531 1.634 . . . . 1.0 110.232 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -158.05 158.96 35.77 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 123.212 1.482 . . . . 1.0 111.276 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 ttt -95.9 157.76 15.75 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.426 -1.715 . . . . 1.0 107.982 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.339 0.9 OUTLIER -147.42 -149.9 0.31 Allowed 'General case' 0 C--N 1.368 1.388 0 CA-C-N 113.558 -1.656 . . . . 1.0 106.822 172.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.61 70.24 1.14 Allowed Glycine 0 C--N 1.363 2.082 0 N-CA-C 117.08 1.592 . . . . 1.0 117.08 -161.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.35 23.43 43.94 Favored Glycine 0 C--N 1.382 3.102 0 CA-C-O 122.759 1.199 . . . . 1.0 112.852 -175.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.26 147.35 26.26 Favored 'General case' 0 C--N 1.378 1.823 0 N-CA-C 107.25 -1.389 . . . . 1.0 107.25 -159.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.5 t -113.05 138.85 41.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.455 0 N-CA-C 106.485 -1.672 . . . . 1.0 106.485 172.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.5 m -117.62 136.79 53.65 Favored 'Isoleucine or valine' 0 C--N 1.379 1.863 0 N-CA-C 107.909 -1.145 . . . . 1.0 107.909 167.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 t -112.31 148.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 N-CA-C 104.138 -2.541 . . . . 1.0 104.138 165.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.01 148.3 32.57 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 105.21 -2.144 . . . . 1.0 105.21 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.4 p -165.4 175.36 2.48 Favored Pre-proline 0 C--N 1.366 1.286 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -174.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -71.37 40.86 0.4 Allowed 'Trans proline' 0 C--N 1.379 2.161 0 N-CA-C 117.838 2.207 . . . . 1.0 117.838 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . 0.268 49.3 p30 161.18 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.379 1.883 0 C-N-CA 125.115 1.366 . . . . 1.0 110.821 158.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -103.09 94.46 5.55 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 106.523 -1.658 . . . . 1.0 106.523 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.58 146.8 26.72 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.273 -1.751 . . . . 1.0 106.273 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -141.78 159.19 42.72 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 123.678 1.704 . . . . 1.0 107.498 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.8 138.59 13.1 Favored 'General case' 0 C--N 1.362 1.126 0 N-CA-C 103.476 -2.787 . . . . 1.0 103.476 -172.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.64 142.52 29.12 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 108.17 -1.048 . . . . 1.0 108.17 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.28 139.19 10.56 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.934 1.349 . . . . 1.0 110.558 -161.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 mm -99.61 124.93 53.27 Favored 'Isoleucine or valine' 0 C--N 1.381 1.969 0 CA-C-N 113.88 -1.509 . . . . 1.0 108.308 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.71 133.87 42.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 104.722 -2.325 . . . . 1.0 104.722 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.509 ' OD1' ' NZ ' ' A' ' 124' ' ' LYS 0.321 1.1 p30 58.98 17.36 5.33 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 124.56 2.124 . . . . 1.0 116.473 172.012 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.28 -2.67 56.25 Favored Glycine 0 C--N 1.385 3.256 0 O-C-N 120.516 -1.365 . . . . 1.0 114.598 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.525 ' N ' ' HZ1' ' A' ' 124' ' ' LYS . 0.2 OUTLIER -68.19 154.41 41.77 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 106.69 -1.596 . . . . 1.0 106.69 159.095 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -123.97 96.68 5.04 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 102.45 -3.167 . . . . 1.0 102.45 169.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.32 141.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.375 1.676 0 N-CA-C 105.487 -2.042 . . . . 1.0 105.487 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -119.73 154.15 34.58 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 122.752 1.263 . . . . 1.0 108.563 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.0 107.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.778 0 N-CA-C 105.964 -1.865 . . . . 1.0 105.964 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.69 162.76 17.74 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 124.118 1.914 . . . . 1.0 111.578 158.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 144.68 38.39 Favored 'General case' 0 C--N 1.375 1.704 0 CA-C-N 112.605 -2.089 . . . . 1.0 105.445 166.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.57 48.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 125.795 2.712 . . . . 1.0 107.921 -171.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.72 -94.04 1.41 Allowed Glycine 0 C--N 1.378 2.891 0 CA-C-N 111.928 -2.396 . . . . 1.0 108.434 -175.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.61 12.49 66.14 Favored Glycine 0 C--N 1.377 2.845 0 N-CA-C 116.414 1.325 . . . . 1.0 116.414 -170.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.97 145.25 24.3 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 N-CA-C 107.375 -1.342 . . . . 1.0 107.375 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 163.45 13.69 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-O 122.614 1.197 . . . . 1.0 108.867 165.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -143.04 86.21 1.91 Allowed 'General case' 0 C--N 1.369 1.433 0 N-CA-C 106.518 -1.66 . . . . 1.0 106.518 162.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.4 pm0 -79.27 146.79 32.81 Favored 'General case' 0 C--N 1.367 1.367 0 CA-C-N 112.124 -2.307 . . . . 1.0 109.93 168.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.73 134.35 10.83 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 112.819 -1.992 . . . . 1.0 106.115 -171.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.66 117.6 54.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.447 0 N-CA-C 106.613 -1.625 . . . . 1.0 106.613 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.41 160.61 22.73 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 122.515 1.15 . . . . 1.0 109.113 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.525 ' HZ1' ' N ' ' A' ' 107' ' ' LYS . 16.9 tppt? -146.86 142.78 28.02 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-O 123.49 1.614 . . . . 1.0 109.205 -170.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -82.77 80.61 8.81 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.557 1.646 . . . . 1.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.7 mt -83.47 44.62 0.98 Allowed 'General case' 0 C--N 1.371 1.501 0 CA-C-O 125.819 2.724 . . . . 1.0 110.9 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.375 1.711 0 CA-C-N 112.776 -2.011 . . . . 1.0 111.257 169.214 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.702 ' N ' ' HZ2' ' A' ' 125' ' ' LYS . . . . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.921 -0.77 . . . . 0.56999999999999995 108.921 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -81.63 -23.97 36.65 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 118.198 -2.814 . . . . 0.56999999999999995 111.372 -6.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.7 m -69.17 154.57 41.83 Favored 'General case' 0 C--N 1.37 1.496 0 CA-C-O 122.819 1.295 . . . . 0.56999999999999995 110.583 -167.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.32 177.39 20.06 Favored Glycine 0 C--N 1.38 2.98 0 CA-C-O 123.699 1.721 . . . . 0.56999999999999995 115.093 168.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.2 tttp -101.68 112.87 25.59 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 104.5 -2.407 . . . . 0.56999999999999995 104.5 169.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.97 141.3 42.93 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 107.869 -1.16 . . . . 0.56999999999999995 107.869 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -101.73 160.45 14.45 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 107.308 -1.368 . . . . 0.91000000000000003 107.308 168.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.44 129.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.375 1.686 0 CA-C-O 123.333 1.54 . . . . 0.56999999999999995 107.807 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.7 -43.86 16.35 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 107.29 -1.374 . . . . 0.91000000000000003 107.29 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -176.73 162.56 2.2 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-O 122.715 1.245 . . . . 0.56999999999999995 111.321 175.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -141.81 160.66 39.73 Favored 'General case' 0 C--N 1.378 1.845 0 N-CA-C 106.335 -1.728 . . . . 0.91000000000000003 106.335 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.76 19.69 0.46 Allowed 'General case' 0 C--N 1.385 2.121 0 N-CA-C 115.32 1.6 . . . . 0.56999999999999995 115.32 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.23 18.43 0.29 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 117.21 -1.796 . . . . 0.56999999999999995 114.309 -176.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -44.43 65.36 Favored 'General case' 0 C--N 1.381 1.939 0 CA-C-O 123.024 1.393 . . . . 0.56999999999999995 110.547 -161.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.78 -48.05 83.55 Favored 'General case' 0 C--N 1.379 1.889 0 CA-C-O 122.753 1.263 . . . . 0.91000000000000003 108.442 -161.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -69.85 -27.13 64.59 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 114.433 -1.258 . . . . 0.91000000000000003 112.965 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -66.4 -36.68 83.46 Favored 'General case' 0 C--N 1.37 1.484 0 CA-C-O 122.594 1.188 . . . . 0.56999999999999995 109.586 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.9 mmm -65.53 -30.88 71.69 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.732 1.254 . . . . 0.56999999999999995 110.029 -171.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -72.3 -30.93 65.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 114.571 -1.195 . . . . 0.56999999999999995 111.057 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -76.33 -26.77 56.12 Favored 'General case' 0 C--N 1.384 2.093 0 CA-C-O 122.797 1.284 . . . . 1.2 111.552 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.3 mt -78.91 -29.39 44.23 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.872 -1.058 . . . . 0.56999999999999995 111.728 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 73.49 50.67 0.13 Allowed 'General case' 0 C--N 1.374 1.646 0 CA-C-O 123.27 1.509 . . . . 0.56999999999999995 110.625 -171.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -92.88 157.49 39.31 Favored Pre-proline 0 C--N 1.386 2.174 0 CA-C-N 114.175 -1.375 . . . . 0.56999999999999995 110.805 166.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.89 -177.23 3.0 Favored 'Trans proline' 0 C--N 1.382 2.302 0 CA-C-O 125.582 2.242 . . . . 0.56999999999999995 111.248 -168.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 p -67.01 -39.17 87.03 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 111.862 -2.426 . . . . 0.56999999999999995 110.223 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.36 48.73 1.05 Allowed 'General case' 0 C--N 1.378 1.807 0 CA-C-O 126.056 2.836 . . . . 0.91000000000000003 109.738 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.1 -34.5 0.07 Allowed 'General case' 0 C--N 1.373 1.594 0 CA-C-N 112.195 -2.275 . . . . 0.56999999999999995 109.155 169.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.04 -32.28 15.22 Favored 'Isoleucine or valine' 0 C--N 1.383 2.058 0 CA-C-N 114.109 -1.405 . . . . 0.56999999999999995 110.392 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -69.58 -47.48 63.45 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-O 122.07 0.938 . . . . 0.91000000000000003 111.089 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -89.1 3.76 50.71 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 119.374 -0.93 . . . . 0.56999999999999995 111.721 -159.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.91 5.01 49.45 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 113.819 1.044 . . . . 0.56999999999999995 113.819 164.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.81 79.09 1.59 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.771 1.748 . . . . 1.2 112.147 -168.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 83.51 36.29 0.04 OUTLIER 'General case' 0 C--N 1.376 1.729 0 CA-C-N 113.067 -1.878 . . . . 0.56999999999999995 111.272 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 mt -78.28 154.73 30.69 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 124.041 1.877 . . . . 0.56999999999999995 110.688 167.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -85.82 93.99 9.03 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 104.479 -2.415 . . . . 0.56999999999999995 104.479 159.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -73.75 152.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 N-CA-C 105.799 -1.926 . . . . 0.56999999999999995 105.799 171.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.13 120.93 61.76 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 N-CA-C 105.78 -1.933 . . . . 0.56999999999999995 105.78 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -92.09 114.86 27.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 107.283 -1.377 . . . . 0.56999999999999995 107.283 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 11.2 mm-40 -94.86 143.68 26.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 105.79 -1.93 . . . . 0.91000000000000003 105.79 171.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -143.71 93.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 106.236 -1.764 . . . . 0.56999999999999995 106.236 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 1.4 tmmt? -90.35 122.55 33.33 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 105.188 -2.153 . . . . 0.56999999999999995 105.188 163.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -96.63 136.73 36.75 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 105.102 -2.184 . . . . 0.56999999999999995 105.102 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.8 m-20 -100.39 -31.19 11.44 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-O 123.188 1.47 . . . . 0.91000000000000003 108.306 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.59 -96.05 0.11 Allowed Glycine 0 C--N 1.382 3.133 0 N-CA-C 106.511 -2.636 . . . . 0.56999999999999995 106.511 168.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -82.28 -19.5 39.4 Favored 'General case' 0 C--N 1.378 1.826 0 CA-C-O 123.121 1.439 . . . . 0.56999999999999995 109.201 162.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -89.65 157.43 18.02 Favored 'General case' 0 C--N 1.382 2.016 0 N-CA-C 107.091 -1.448 . . . . 0.56999999999999995 107.091 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -139.62 152.9 47.16 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-N 114.059 -1.428 . . . . 0.56999999999999995 107.728 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.7 m -132.14 86.73 2.36 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 104.852 -2.277 . . . . 0.56999999999999995 104.852 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -84.81 156.35 21.39 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 113.063 -1.881 . . . . 0.56999999999999995 107.446 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -151.49 143.84 24.11 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-N 114.859 -1.064 . . . . 0.56999999999999995 109.053 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -114.51 98.95 7.2 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 105.413 -2.069 . . . . 0.56999999999999995 105.413 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -92.34 153.61 19.09 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 124.203 1.954 . . . . 0.56999999999999995 109.551 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -156.24 93.68 2.46 Favored Pre-proline 0 C--N 1.379 1.854 0 N-CA-C 105.221 -2.14 . . . . 0.56999999999999995 105.221 -142.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -77.09 64.61 7.82 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-O 124.498 1.791 . . . . 0.56999999999999995 112.034 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.37 18.7 0.61 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 112.994 -1.912 . . . . 0.56999999999999995 111.027 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.4 11.09 64.88 Favored Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.541 1.078 . . . . 0.56999999999999995 114.292 168.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -134.62 179.57 6.21 Favored 'General case' 0 C--N 1.373 1.627 0 N-CA-C 105.533 -2.025 . . . . 0.56999999999999995 105.533 171.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -177.38 162.65 1.92 Allowed 'General case' 0 C--N 1.365 1.281 0 N-CA-C 106.314 -1.736 . . . . 0.56999999999999995 106.314 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.3 mt -139.2 100.49 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.675 0 N-CA-C 108.409 -0.959 . . . . 0.56999999999999995 108.409 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.9 m -89.1 158.87 17.8 Favored 'General case' 0 C--N 1.375 1.701 0 CA-C-O 122.353 1.073 . . . . 0.56999999999999995 108.21 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -159.31 116.9 2.74 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-O 122.031 0.92 . . . . 0.56999999999999995 108.629 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.0 m -92.0 136.79 32.89 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 106.025 -1.843 . . . . 0.56999999999999995 106.025 167.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -148.68 169.61 20.01 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-O 123.057 1.408 . . . . 0.56999999999999995 110.039 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.6 m -131.69 137.78 48.43 Favored 'General case' 0 C--N 1.379 1.88 0 CA-C-N 114.952 -1.022 . . . . 0.56999999999999995 108.634 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -85.77 141.19 14.83 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 122.759 1.266 . . . . 0.56999999999999995 109.655 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.55 38.06 15.47 Favored Glycine 0 C--N 1.383 3.157 0 CA-C-N 114.226 -1.352 . . . . 0.56999999999999995 112.164 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.0 tttm -160.39 166.68 28.88 Favored 'General case' 0 C--N 1.376 1.731 0 N-CA-C 107.106 -1.442 . . . . 0.56999999999999995 107.106 -170.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -87.26 150.14 24.09 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.444 1.592 . . . . 0.91000000000000003 109.005 153.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -125.53 156.88 38.34 Favored 'General case' 0 C--N 1.37 1.476 0 N-CA-C 106.652 -1.611 . . . . 0.56999999999999995 106.652 166.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.82 148.4 22.55 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 105.627 -1.99 . . . . 0.91000000000000003 105.627 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.1 mm -145.33 133.07 16.11 Favored 'Isoleucine or valine' 0 C--N 1.374 1.671 0 CA-C-O 122.874 1.321 . . . . 0.56999999999999995 108.011 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -128.36 174.37 9.38 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 125.146 2.403 . . . . 0.91000000000000003 108.034 -174.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.5 p 84.91 -45.84 0.08 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 113.768 -1.56 . . . . 0.56999999999999995 114.469 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -78.47 83.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.771 0 CA-C-O 125.603 2.621 . . . . 0.56999999999999995 107.266 -161.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.19 23.33 35.02 Favored Glycine 0 C--N 1.383 3.173 0 CA-C-N 112.037 -2.347 . . . . 0.56999999999999995 113.456 -171.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.87 19.13 78.06 Favored Glycine 0 C--N 1.381 3.053 0 C-N-CA 119.504 -1.332 . . . . 0.56999999999999995 115.811 159.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.76 171.29 7.5 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-O 122.791 1.281 . . . . 0.56999999999999995 108.274 172.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -125.97 96.07 4.62 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 102.95 -2.982 . . . . 0.56999999999999995 102.95 169.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -101.14 155.26 18.11 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.666 1.222 . . . . 0.56999999999999995 109.457 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -98.11 162.7 13.08 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-O 122.972 1.368 . . . . 0.56999999999999995 107.555 148.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.47 142.63 28.29 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-N 113.707 -1.588 . . . . 0.56999999999999995 107.976 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.85 142.69 33.39 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 107.299 -1.371 . . . . 0.56999999999999995 107.299 167.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -137.54 130.24 42.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 CA-C-O 124.253 1.978 . . . . 0.56999999999999995 105.888 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -153.51 165.8 34.72 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 124.241 1.972 . . . . 0.56999999999999995 109.233 -153.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 ttt -114.29 119.74 38.03 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 103.785 -2.672 . . . . 0.56999999999999995 103.785 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.68 -176.47 6.08 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 104.108 -2.553 . . . . 0.91000000000000003 104.108 162.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.86 88.44 0.38 Allowed Glycine 0 C--N 1.377 2.814 0 O-C-N 120.145 -1.597 . . . . 0.56999999999999995 113.08 -164.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.74 17.34 Favored Glycine 0 C--N 1.377 2.849 0 CA-C-N 114.049 -1.076 . . . . 0.56999999999999995 115.128 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.19 147.28 25.28 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 122.122 0.963 . . . . 0.56999999999999995 109.219 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.8 t -80.46 161.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.48 0 N-CA-C 106.627 -1.62 . . . . 0.56999999999999995 106.627 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.9 p -160.26 140.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.525 1.631 . . . . 0.56999999999999995 111.702 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.5 t -108.73 140.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 N-CA-C 106.256 -1.757 . . . . 0.56999999999999995 106.256 162.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -141.69 130.53 22.99 Favored 'General case' 0 C--N 1.373 1.626 0 N-CA-C 106.741 -1.578 . . . . 0.56999999999999995 106.741 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.2 p -159.13 175.39 3.27 Favored Pre-proline 0 C--N 1.372 1.552 0 CA-C-O 121.651 0.738 . . . . 0.56999999999999995 110.371 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -64.04 116.75 3.89 Favored 'Trans proline' 0 C--N 1.381 2.284 0 CA-C-O 123.674 1.448 . . . . 0.56999999999999995 111.768 -174.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 72.87 35.52 1.0 Allowed 'General case' 0 C--N 1.385 2.116 0 CA-C-N 113.607 -1.633 . . . . 0.56999999999999995 111.073 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -167.09 119.79 0.95 Allowed 'General case' 0 C--N 1.39 2.331 0 CA-C-O 122.668 1.223 . . . . 0.56999999999999995 111.681 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -120.4 148.25 44.02 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.117 -2.179 . . . . 0.56999999999999995 105.117 167.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.501 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 22.3 t60 -155.3 92.12 1.39 Allowed 'General case' 0 C--N 1.376 1.737 0 N-CA-C 107.424 -1.324 . . . . 0.56999999999999995 107.424 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.7 p -80.6 164.34 22.98 Favored 'General case' 0 C--N 1.373 1.607 0 CA-C-O 123.475 1.607 . . . . 0.56999999999999995 110.17 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -152.2 88.05 1.36 Allowed 'General case' 0 C--N 1.376 1.724 0 CA-C-N 113.233 -1.803 . . . . 0.56999999999999995 106.26 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -97.2 159.64 14.8 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.314 1.846 . . . . 0.91000000000000003 109.964 -174.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 mm -107.62 139.01 31.05 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 123.609 1.671 . . . . 0.56999999999999995 109.411 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.7 p -151.15 149.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.926 0 N-CA-C 107.056 -1.461 . . . . 0.56999999999999995 107.056 163.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . 0.387 1.0 OUTLIER 57.79 14.02 2.3 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 116.624 2.083 . . . . 0.91000000000000003 116.624 175.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.33 -11.0 59.69 Favored Glycine 0 C--N 1.386 3.323 0 CA-C-N 114.238 -1.346 . . . . 0.56999999999999995 115.206 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -82.28 166.12 19.81 Favored 'General case' 0 C--N 1.372 1.551 0 CA-C-O 123.569 1.652 . . . . 0.56999999999999995 110.979 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.29 141.23 28.67 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-N 112.619 -2.082 . . . . 0.56999999999999995 107.16 166.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.3 t -117.24 121.35 67.47 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 N-CA-C 104.009 -2.589 . . . . 0.56999999999999995 104.009 161.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.501 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 45.1 mt-10 -100.33 151.88 20.98 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 118.474 -1.29 . . . . 0.91000000000000003 108.136 165.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.8 t -134.57 112.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 N-CA-C 105.544 -2.021 . . . . 0.56999999999999995 105.544 163.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 m -93.08 151.44 19.86 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.602 -1.181 . . . . 0.56999999999999995 109.184 166.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 m -147.07 123.35 10.91 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 105.33 -2.1 . . . . 0.56999999999999995 105.33 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.87 -178.7 2.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.487 0 N-CA-C 106.026 -1.842 . . . . 0.56999999999999995 106.026 -175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.75 97.24 0.24 Allowed Glycine 0 C--N 1.375 2.733 0 CA-C-O 123.793 1.774 . . . . 0.56999999999999995 112.394 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.06 4.26 72.07 Favored Glycine 0 C--N 1.378 2.9 0 CA-C-N 112.925 -1.638 . . . . 0.56999999999999995 117.105 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 83.8 t -141.83 150.95 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 106.752 -1.573 . . . . 0.56999999999999995 106.752 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.8 m -121.89 163.29 19.49 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 122.427 1.108 . . . . 0.56999999999999995 108.848 160.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -152.68 98.56 2.36 Favored 'General case' 0 C--N 1.367 1.326 0 N-CA-C 105.909 -1.885 . . . . 0.56999999999999995 105.909 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 154.35 19.89 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 124.903 2.287 . . . . 0.91000000000000003 110.889 170.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -140.06 144.87 37.08 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 110.928 -2.851 . . . . 1.2 104.423 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.51 120.31 57.44 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 N-CA-C 105.99 -1.855 . . . . 0.56999999999999995 105.99 168.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.0 m -122.02 113.01 18.96 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 114.814 -1.085 . . . . 0.56999999999999995 108.211 -174.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -80.01 137.92 36.93 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 122.741 1.258 . . . . 0.56999999999999995 112.096 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.702 ' HZ2' ' N ' ' A' ' 1' ' ' ALA . 4.7 ttpm? -91.69 123.45 35.09 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.429 -1.693 . . . . 0.56999999999999995 106.429 165.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 23.62 0.45 Allowed 'General case' 0 C--N 1.375 1.676 0 CA-C-O 123.323 1.535 . . . . 0.56999999999999995 112.039 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.379 1.851 0 CA-C-O 126.404 3.002 . . . . 0.66000000000000003 108.197 176.714 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 123.48 1.61 . . . . 0.56999999999999995 109.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -80.95 64.85 5.87 Favored 'General case' 0 C--N 1.371 1.509 0 CA-C-O 124.354 2.026 . . . . 0.56999999999999995 110.326 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 t -151.8 170.98 18.46 Favored 'General case' 0 C--N 1.381 1.978 0 CA-C-O 122.732 1.253 . . . . 0.56999999999999995 109.209 159.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.48 -177.16 30.3 Favored Glycine 0 C--N 1.375 2.709 0 CA-C-O 123.877 1.821 . . . . 0.56999999999999995 114.812 -162.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -72.63 167.57 20.47 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 118.542 -2.74 . . . . 0.56999999999999995 104.858 -29.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -128.39 160.7 31.41 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 105.345 -2.095 . . . . 0.56999999999999995 105.345 159.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' OE1' ' NZ ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -145.02 144.43 31.0 Favored 'General case' 0 C--N 1.365 1.271 0 N-CA-C 104.796 -2.298 . . . . 0.91000000000000003 104.796 -172.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.47 130.71 35.95 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 CA-C-O 124.558 2.123 . . . . 0.56999999999999995 110.611 -169.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 32.2 tt0 -89.65 -44.08 10.3 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-N 112.738 -2.028 . . . . 0.91000000000000003 107.057 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -173.41 154.6 2.64 Favored 'General case' 0 C--N 1.38 1.905 0 CA-C-O 122.439 1.114 . . . . 0.56999999999999995 110.51 170.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -123.45 122.48 38.35 Favored 'General case' 0 C--N 1.376 1.73 0 N-CA-C 104.743 -2.317 . . . . 0.91000000000000003 104.743 169.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -2.07 26.77 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 114.761 1.393 . . . . 0.56999999999999995 114.761 -165.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.13 24.19 0.83 Allowed 'General case' 0 C--N 1.384 2.068 0 CA-C-O 123.348 1.547 . . . . 0.56999999999999995 112.162 -167.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -66.28 -40.79 90.3 Favored 'General case' 0 C--N 1.38 1.923 0 CA-C-O 122.89 1.328 . . . . 0.56999999999999995 109.736 -169.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' A' ' 19' ' ' LYS . 12.2 t70 -67.53 -45.77 74.74 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 123.207 1.48 . . . . 0.91000000000000003 108.104 -166.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -38.49 91.21 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-N 113.241 -1.799 . . . . 0.91000000000000003 109.909 -176.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -69.19 -39.04 78.91 Favored 'General case' 0 C--N 1.379 1.852 0 CA-C-O 123.22 1.486 . . . . 0.56999999999999995 109.303 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 77.3 mmm -69.08 -25.43 64.43 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 121.067 -1.021 . . . . 0.56999999999999995 111.697 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' NZ ' ' OD1' ' A' ' 15' ' ' ASP . 13.7 mptt -69.68 -30.01 67.58 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-O 121.566 0.698 . . . . 0.56999999999999995 110.655 172.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -73.01 -35.02 66.72 Favored 'General case' 0 C--N 1.381 1.954 0 CA-C-O 121.872 0.844 . . . . 1.2 111.906 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.2 mt -76.58 -15.57 59.82 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 115.77 -0.65 . . . . 0.56999999999999995 111.699 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 84.98 39.78 0.02 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 126.909 2.084 . . . . 0.56999999999999995 113.532 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.83 150.11 38.1 Favored Pre-proline 0 C--N 1.382 2.006 0 CA-C-N 114.652 -1.158 . . . . 0.56999999999999995 109.678 166.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.9 158.27 13.73 Favored 'Trans proline' 0 C--N 1.382 2.337 0 CA-C-O 123.968 1.57 . . . . 0.56999999999999995 110.195 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.27 64.29 5.94 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-O 124.659 2.171 . . . . 0.56999999999999995 109.934 167.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 14.7 t70 -132.8 -44.61 0.88 Allowed 'General case' 0 C--N 1.38 1.914 0 CA-C-N 112.008 -2.36 . . . . 0.91000000000000003 104.75 155.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.96 -38.7 61.64 Favored 'General case' 0 C--N 1.391 2.405 0 CA-C-N 113.338 -1.755 . . . . 0.56999999999999995 110.053 -174.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt -66.31 -36.54 77.62 Favored 'Isoleucine or valine' 0 C--N 1.381 1.972 0 CA-C-O 123.142 1.449 . . . . 0.56999999999999995 107.829 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.427 ' OD2' ' NH1' ' A' ' 32' ' ' ARG . 1.6 m-20 -71.49 -16.87 62.37 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 114.956 -1.02 . . . . 0.91000000000000003 110.401 -168.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' NZ ' ' OD1' ' A' ' 26' ' ' ASP . 48.4 mttp -96.82 31.44 2.35 Favored 'General case' 0 C--N 1.378 1.834 0 CA-C-O 123.069 1.414 . . . . 0.56999999999999995 111.885 171.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.49 -1.54 0.27 Allowed 'General case' 0 C--N 1.381 1.938 0 CA-C-N 114.927 -1.033 . . . . 0.56999999999999995 113.714 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' NH1' ' OD2' ' A' ' 29' ' ' ASP . 37.0 mtt85 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-O 123.34 1.543 . . . . 1.2 109.668 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 68.68 19.05 8.65 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.755 -1.566 . . . . 0.56999999999999995 112.634 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -91.35 155.86 18.19 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 123.705 1.717 . . . . 0.56999999999999995 107.86 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 7' ' ' GLU . 15.0 mttm -96.29 103.98 15.92 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.275 -2.12 . . . . 0.56999999999999995 105.275 165.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.32 109.87 13.43 Favored 'Isoleucine or valine' 0 C--N 1.376 1.721 0 N-CA-C 105.083 -2.191 . . . . 0.56999999999999995 105.083 170.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.05 145.25 9.76 Favored 'Isoleucine or valine' 0 C--N 1.379 1.855 0 N-CA-C 104.607 -2.368 . . . . 0.56999999999999995 104.607 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -124.0 150.02 45.35 Favored 'General case' 0 C--N 1.374 1.635 0 CA-C-O 123.268 1.509 . . . . 0.56999999999999995 110.818 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -142.39 103.54 4.28 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 104.243 -2.503 . . . . 0.91000000000000003 104.243 -165.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.53 158.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 105.841 -1.911 . . . . 0.56999999999999995 105.841 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.25 121.19 2.64 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 106.13 -1.804 . . . . 0.56999999999999995 106.13 165.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -85.12 130.55 34.59 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.413 -1.699 . . . . 0.56999999999999995 106.413 169.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -89.07 -36.21 15.89 Favored 'General case' 0 C--N 1.379 1.879 0 CA-C-O 123.474 1.607 . . . . 0.91000000000000003 108.247 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.23 -95.13 0.1 OUTLIER Glycine 0 C--N 1.385 3.251 0 N-CA-C 106.37 -2.692 . . . . 0.56999999999999995 106.37 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -94.8 -6.63 42.49 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 122.622 1.201 . . . . 0.56999999999999995 110.646 162.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.45 157.16 16.14 Favored 'General case' 0 C--N 1.38 1.905 0 N-CA-C 106.407 -1.701 . . . . 0.56999999999999995 106.407 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -139.05 145.78 40.0 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-O 123.677 1.703 . . . . 0.56999999999999995 109.196 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 142.07 47.18 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 106.443 -1.688 . . . . 0.56999999999999995 106.443 164.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -149.69 130.59 14.27 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 107.505 -1.294 . . . . 0.56999999999999995 107.505 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m -148.19 154.32 39.95 Favored 'General case' 0 C--N 1.373 1.622 0 CA-C-O 123.722 1.725 . . . . 0.56999999999999995 109.109 -175.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -139.07 149.42 44.56 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.468 -1.242 . . . . 0.56999999999999995 108.266 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -105.35 129.69 53.63 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 122.478 1.133 . . . . 0.56999999999999995 108.909 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -100.91 130.49 25.07 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 102.739 -3.06 . . . . 0.56999999999999995 102.739 162.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.79 89.55 1.29 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 121.623 1.549 . . . . 0.56999999999999995 108.865 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.64 32.93 0.27 Allowed Glycine 0 C--N 1.383 3.183 0 CA-C-N 113.445 -1.707 . . . . 0.56999999999999995 115.238 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.26 34.3 14.82 Favored Glycine 0 C--N 1.383 3.15 0 C-N-CA 119.633 -1.27 . . . . 0.56999999999999995 114.08 155.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -141.42 52.74 1.54 Allowed 'General case' 0 C--N 1.374 1.655 0 CA-C-O 123.272 1.511 . . . . 0.56999999999999995 107.115 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 p -69.97 145.75 51.62 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-N 113.248 -1.796 . . . . 0.56999999999999995 109.735 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.6 mm -96.09 149.86 4.55 Favored 'Isoleucine or valine' 0 C--N 1.377 1.793 0 N-CA-C 105.1 -2.185 . . . . 0.56999999999999995 105.1 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -155.66 144.16 20.26 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.964 -1.495 . . . . 0.56999999999999995 106.964 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 143.34 14.84 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.753 -1.573 . . . . 0.56999999999999995 106.753 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.4 m -116.33 143.25 45.79 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 105.317 -2.105 . . . . 0.56999999999999995 105.317 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -157.67 155.6 30.29 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-O 123.353 1.549 . . . . 0.56999999999999995 110.084 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -108.96 141.24 41.33 Favored 'General case' 0 C--N 1.374 1.646 0 N-CA-C 107.056 -1.461 . . . . 0.56999999999999995 107.056 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.9 mm -83.03 142.23 13.84 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 CA-C-O 122.808 1.289 . . . . 0.56999999999999995 109.285 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.69 31.56 Favored Glycine 0 C--N 1.377 2.831 0 CA-C-N 113.499 -1.682 . . . . 0.56999999999999995 114.908 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -156.08 -160.68 1.03 Allowed 'General case' 0 C--N 1.376 1.73 0 CA-C-O 122.632 1.206 . . . . 0.56999999999999995 109.165 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 169.14 18.76 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-O 123.274 1.511 . . . . 0.91000000000000003 109.373 166.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -149.24 166.39 29.04 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 104.745 -2.317 . . . . 0.56999999999999995 104.745 148.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.44 136.59 32.91 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 106.487 -1.671 . . . . 0.91000000000000003 106.487 167.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.9 mm -143.32 145.2 22.82 Favored 'Isoleucine or valine' 0 C--N 1.377 1.787 0 N-CA-C 107.839 -1.171 . . . . 0.56999999999999995 107.839 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.07 154.67 6.18 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 107.709 -1.219 . . . . 0.91000000000000003 107.709 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 t -173.71 24.49 0.01 OUTLIER 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.289 -1.323 . . . . 0.56999999999999995 113.828 136.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.3 mm -136.5 51.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.8 0 CA-C-O 123.823 1.773 . . . . 0.56999999999999995 110.579 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.6 51.08 1.06 Allowed Glycine 0 C--N 1.38 2.983 0 N-CA-C 117.657 1.823 . . . . 0.56999999999999995 117.657 149.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.01 4.04 78.89 Favored Glycine 0 C--N 1.371 2.509 0 CA-C-O 122.615 1.119 . . . . 0.56999999999999995 114.906 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 62.66 6.09 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-O 123.874 1.797 . . . . 0.56999999999999995 107.765 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 76.82 10.0 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.041 -1.89 . . . . 0.56999999999999995 107.465 -175.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -76.56 147.83 37.43 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 113.772 -1.558 . . . . 0.56999999999999995 109.429 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -86.19 129.49 34.83 Favored 'General case' 0 C--N 1.385 2.134 0 N-CA-C 103.694 -2.706 . . . . 0.56999999999999995 103.694 145.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.71 158.21 39.23 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 114.365 -1.289 . . . . 0.56999999999999995 108.291 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -88.23 145.99 25.59 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 114.564 -1.198 . . . . 0.56999999999999995 108.22 172.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 p -149.28 129.86 4.45 Favored 'Isoleucine or valine' 0 C--N 1.376 1.741 0 CA-C-O 124.657 2.17 . . . . 0.56999999999999995 108.459 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -163.57 164.0 24.35 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.951 -1.477 . . . . 0.56999999999999995 108.869 -146.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.76 95.27 5.45 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 105.923 -1.881 . . . . 0.56999999999999995 105.923 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -79.63 53.01 1.51 Allowed 'General case' 0 C--N 1.38 1.926 0 CA-C-O 123.351 1.548 . . . . 0.91000000000000003 110.96 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.64 54.67 3.87 Favored Glycine 0 C--N 1.39 3.552 0 C-N-CA 118.898 -1.62 . . . . 0.56999999999999995 114.156 157.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.31 -6.43 59.5 Favored Glycine 0 C--N 1.38 2.982 0 CA-C-O 123.032 1.351 . . . . 0.56999999999999995 112.403 -173.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.51 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 35.8 mttm -119.03 135.53 54.58 Favored 'General case' 0 C--N 1.369 1.444 0 N-CA-C 105.654 -1.98 . . . . 0.56999999999999995 105.654 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.07 156.64 4.52 Favored 'Isoleucine or valine' 0 C--N 1.367 1.368 0 N-CA-C 105.14 -2.17 . . . . 0.56999999999999995 105.14 158.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -154.37 143.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 122.703 1.24 . . . . 0.56999999999999995 110.791 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.49 137.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.382 1.989 0 N-CA-C 106.14 -1.8 . . . . 0.56999999999999995 106.14 156.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -132.1 143.73 50.22 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-O 122.881 1.324 . . . . 0.56999999999999995 108.42 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.25 169.8 9.88 Favored Pre-proline 0 C--N 1.372 1.573 0 N-CA-C 106.006 -1.849 . . . . 0.56999999999999995 106.006 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.99 -27.88 85.88 Favored 'Trans proline' 0 C--N 1.382 2.329 0 N-CA-C 118.66 2.523 . . . . 0.56999999999999995 118.66 -155.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -139.19 40.18 2.1 Favored 'General case' 0 C--N 1.373 1.599 0 CA-C-O 123.888 1.804 . . . . 0.56999999999999995 110.228 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -156.85 96.6 1.63 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-N 112.814 -1.994 . . . . 0.56999999999999995 107.773 -169.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.53 145.93 28.36 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.71 -1.959 . . . . 0.56999999999999995 105.71 172.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.421 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 19.5 t60 -154.82 90.68 1.32 Allowed 'General case' 0 C--N 1.378 1.844 0 C-N-CA 119.725 -0.79 . . . . 0.56999999999999995 108.892 -175.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.7 p -86.66 159.28 19.24 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 123.052 1.406 . . . . 0.56999999999999995 111.134 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.96 129.56 18.04 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 113.727 -1.579 . . . . 0.56999999999999995 106.871 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.51 ' OE1' ' NZ ' ' A' ' 89' ' ' LYS . 9.1 pt-20 -158.72 153.11 24.16 Favored 'General case' 0 C--N 1.373 1.605 0 CA-C-O 123.573 1.654 . . . . 0.91000000000000003 111.431 -157.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.37 137.82 38.16 Favored 'Isoleucine or valine' 0 C--N 1.373 1.61 0 CA-C-N 114.421 -1.263 . . . . 0.56999999999999995 108.813 -167.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . 0.28 20.2 t -124.24 -119.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.908 0 N-CA-C 106.442 -1.688 . . . . 0.56999999999999995 106.442 170.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.483 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 13.0 p-10 -78.56 40.75 0.38 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 125.313 2.482 . . . . 0.91000000000000003 111.404 -176.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 67.56 16.92 68.23 Favored Glycine 0 C--N 1.378 2.902 0 O-C-N 120.097 -1.627 . . . . 0.56999999999999995 110.336 -169.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.455 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 47.4 mttm -74.22 140.64 45.2 Favored 'General case' 0 C--N 1.393 2.495 0 N-CA-C 104.993 -2.225 . . . . 0.56999999999999995 104.993 146.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.03 102.73 14.56 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 101.184 -3.636 . . . . 0.56999999999999995 101.184 155.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.6 151.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.372 1.554 0 N-CA-C 105.21 -2.144 . . . . 0.56999999999999995 105.21 170.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.421 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 37.2 tt0 -147.53 142.0 26.44 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 105.841 -1.911 . . . . 0.91000000000000003 105.841 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.3 t -140.27 104.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.632 0 N-CA-C 106.46 -1.682 . . . . 0.56999999999999995 106.46 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.29 153.95 29.49 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 123.492 1.615 . . . . 0.56999999999999995 107.508 159.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 15.6 m -153.83 107.42 2.97 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 105.77 -1.937 . . . . 0.56999999999999995 105.77 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.3 159.16 2.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 CA-C-N 112.309 -2.223 . . . . 0.56999999999999995 105.311 170.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.88 91.68 0.35 Allowed Glycine 0 C--N 1.373 2.622 0 N-CA-C 108.947 -1.661 . . . . 0.56999999999999995 108.947 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.92 9.07 7.68 Favored Glycine 0 C--N 1.379 2.965 0 N-CA-C 116.692 1.437 . . . . 0.56999999999999995 116.692 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -169.25 148.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.806 0 CA-C-O 122.547 1.165 . . . . 0.56999999999999995 110.766 158.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 p -87.97 161.7 17.27 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.627 1.679 . . . . 0.56999999999999995 109.273 164.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -152.68 86.37 1.26 Allowed 'General case' 0 C--N 1.373 1.625 0 N-CA-C 105.718 -1.956 . . . . 0.56999999999999995 105.718 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -86.13 147.81 25.98 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 111.596 -2.547 . . . . 0.91000000000000003 107.384 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -152.23 132.22 13.4 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 112.029 -2.351 . . . . 1.2 105.745 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.26 117.54 53.79 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 106.344 -1.724 . . . . 0.56999999999999995 106.344 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.1 m -110.13 156.28 20.8 Favored 'General case' 0 C--N 1.377 1.782 0 CA-C-N 114.435 -1.257 . . . . 0.56999999999999995 108.008 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.483 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 1.8 tmtm? -131.39 153.5 49.6 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 123.443 1.592 . . . . 0.56999999999999995 107.32 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -84.21 70.03 10.51 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 124.074 1.892 . . . . 0.56999999999999995 108.508 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.34 73.61 10.45 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 103.37 -2.826 . . . . 0.56999999999999995 103.37 168.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.569 0 CA-C-N 111.766 -2.47 . . . . 0.66000000000000003 112.316 -164.244 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 123.955 1.836 . . . . 1.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.62 -22.26 51.04 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 113.28 -1.782 . . . . 1.0 111.86 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -74.67 160.72 30.44 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.516 1.627 . . . . 1.0 110.31 -175.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.49 14.94 Favored Glycine 0 C--N 1.372 2.529 0 CA-C-N 114.29 -1.323 . . . . 1.0 110.495 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.523 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.9 tttp -99.47 116.73 32.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 105.688 -1.967 . . . . 1.0 105.688 171.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -98.03 150.13 21.72 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 114.073 -1.421 . . . . 1.0 109.151 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -107.7 152.87 23.74 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 113.166 -1.833 . . . . 1.0 106.157 159.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.91 130.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 N-CA-C 105.145 -2.169 . . . . 1.0 105.145 168.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 23.2 tt0 -82.23 -48.36 11.35 Favored 'General case' 0 C--N 1.376 1.747 0 N-CA-C 107.029 -1.471 . . . . 1.0 107.029 176.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -170.66 154.15 4.37 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-O 121.707 0.765 . . . . 1.0 109.378 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.35 153.24 42.11 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 105.741 -1.948 . . . . 1.0 105.741 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -98.68 -47.88 5.17 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 119.218 -0.993 . . . . 1.0 110.307 -177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -125.47 37.97 4.27 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 124.496 2.093 . . . . 1.0 111.266 -155.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.08 -43.32 87.69 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 112.818 -1.992 . . . . 1.0 109.761 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.77 -51.92 55.16 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 122.449 1.119 . . . . 1.0 108.215 -165.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.3 -21.39 62.08 Favored 'General case' 0 C--N 1.382 2.009 0 CA-C-N 114.813 -1.085 . . . . 1.0 113.063 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 122.314 1.054 . . . . 1.0 108.502 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.4 mmm -66.0 -23.79 66.64 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 121.915 0.864 . . . . 1.0 110.23 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-O 122.91 1.338 . . . . 1.0 108.871 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -73.02 -15.07 61.53 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 122.329 1.062 . . . . 1.0 112.971 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 -5.27 59.2 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-N 115.358 -0.837 . . . . 1.0 112.873 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.21 47.16 4.2 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-O 123.662 1.696 . . . . 1.0 110.252 169.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -102.29 159.51 29.15 Favored Pre-proline 0 C--N 1.377 1.787 0 CA-C-N 113.04 -1.891 . . . . 1.0 111.303 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.06 161.88 37.87 Favored 'Trans proline' 0 C--N 1.381 2.271 0 CA-C-O 123.358 1.316 . . . . 1.0 108.811 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 t -58.29 -34.44 70.55 Favored 'General case' 0 C--N 1.387 2.238 0 CA-C-N 113.781 -1.554 . . . . 1.0 110.021 -171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.27 -38.51 83.77 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.197 1.951 . . . . 1.0 108.426 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.32 -22.53 64.7 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 118.711 -1.196 . . . . 1.0 113.522 -178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.1 mt -89.76 -48.94 14.2 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-O 121.688 0.756 . . . . 1.0 109.066 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.29 4.0 p30 -76.79 -9.97 59.05 Favored 'General case' 0 C--N 1.374 1.632 0 N-CA-C 115.078 1.51 . . . . 1.0 115.078 -167.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.41 -9.44 59.6 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 118.847 -1.141 . . . . 1.0 111.127 170.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.86 36.81 3.07 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 123.026 1.393 . . . . 1.0 112.719 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.6 82.17 2.02 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 123.522 1.629 . . . . 1.0 109.21 171.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 88.98 29.8 0.02 OUTLIER 'General case' 0 C--N 1.379 1.887 0 CA-C-N 112.976 -1.92 . . . . 1.0 113.498 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -91.75 155.29 18.37 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 123.814 1.769 . . . . 1.0 110.878 164.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -88.74 107.17 18.81 Favored 'General case' 0 C--N 1.378 1.84 0 N-CA-C 104.183 -2.525 . . . . 1.0 104.183 168.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.17 146.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-O 123.61 1.671 . . . . 1.0 107.117 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.65 158.66 4.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 N-CA-C 106.068 -1.826 . . . . 1.0 106.068 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 141.07 25.08 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 121.439 -0.788 . . . . 1.0 109.656 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.523 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 5.2 mp0 -102.36 149.37 24.42 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 107.638 -1.245 . . . . 1.0 107.638 157.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -136.19 141.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 106.304 -1.739 . . . . 1.0 106.304 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 26.7 ttpp -141.06 142.09 34.2 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 106.546 -1.65 . . . . 1.0 106.546 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -112.88 98.19 7.03 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.6 m-20 -87.01 67.11 9.69 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-O 124.49 2.09 . . . . 1.0 106.237 -176.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.0 -111.86 4.06 Favored Glycine 0 C--N 1.381 3.059 0 CA-C-N 113.804 -1.543 . . . . 1.0 110.039 -170.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -95.15 -14.05 24.49 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.569 -1.316 . . . . 1.0 112.32 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -81.11 155.57 26.2 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 107.112 -1.44 . . . . 1.0 107.112 166.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -131.75 126.0 33.37 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 105.498 -2.038 . . . . 1.0 105.498 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.5 m -96.15 143.58 27.15 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 106.221 -1.77 . . . . 1.0 106.221 164.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -149.29 110.77 4.47 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 107.025 -1.472 . . . . 1.0 107.025 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.9 t -103.06 144.6 31.08 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 122.186 0.994 . . . . 1.0 109.317 171.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.94 149.72 38.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 106.725 -1.583 . . . . 1.0 106.725 162.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -139.77 132.31 28.7 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.205 1.479 . . . . 1.0 108.141 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.83 134.03 31.19 Favored Pre-proline 0 C--N 1.375 1.684 0 N-CA-C 103.927 -2.62 . . . . 1.0 103.927 169.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -80.73 76.21 4.64 Favored 'Trans proline' 0 C--N 1.371 1.736 0 CA-C-O 124.386 1.744 . . . . 1.0 107.787 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -175.83 -69.82 0.05 OUTLIER Glycine 0 C--N 1.38 2.979 0 CA-C-N 113.327 -1.76 . . . . 1.0 110.91 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.76 17.13 0.04 OUTLIER Glycine 0 C--N 1.39 3.572 0 C-N-CA 116.784 -2.627 . . . . 1.0 117.851 -168.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -134.59 161.51 34.89 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 107.003 -1.48 . . . . 1.0 107.003 165.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -162.18 151.32 15.58 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 106.763 -1.569 . . . . 1.0 106.763 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.9 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 N-CA-C 104.235 -2.505 . . . . 1.0 104.235 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 t -142.55 164.06 31.14 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 108.636 -0.875 . . . . 1.0 108.636 160.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.37 149.34 17.13 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 m -110.8 144.4 39.86 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.306 -1.738 . . . . 1.0 106.306 165.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -151.27 165.18 34.78 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-O 122.321 1.057 . . . . 1.0 108.473 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -118.71 139.73 51.07 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-O 122.464 1.126 . . . . 1.0 109.445 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.1 mm -78.06 139.0 19.26 Favored 'Isoleucine or valine' 0 C--N 1.377 1.768 0 N-CA-C 107.324 -1.362 . . . . 1.0 107.324 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.75 47.38 Favored Glycine 0 C--N 1.378 2.915 0 CA-C-N 115.224 -0.898 . . . . 1.0 113.543 173.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.562 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.3 tttm -154.18 169.07 24.47 Favored 'General case' 0 C--N 1.373 1.598 0 CA-C-O 122.933 1.349 . . . . 1.0 107.874 -174.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -83.37 168.14 16.88 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-O 123.523 1.63 . . . . 1.0 108.545 157.377 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 p -155.11 163.44 40.25 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-N 113.996 -1.457 . . . . 1.0 107.302 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.86 119.41 39.36 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 104.423 -2.436 . . . . 1.0 104.423 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -101.81 145.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.374 1.631 0 N-CA-C 105.356 -2.091 . . . . 1.0 105.356 166.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -140.35 173.09 11.85 Favored 'General case' 0 C--N 1.375 1.691 0 CA-C-O 123.441 1.591 . . . . 1.0 108.35 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.317 4.2 p 84.59 -147.75 0.01 OUTLIER 'General case' 0 C--N 1.376 1.718 0 CA-C-N 113.996 -1.457 . . . . 1.0 109.651 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.263 43.8 mm 55.98 45.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.169 0 CA-C-O 125.254 2.454 . . . . 1.0 109.357 172.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.91 7.96 55.97 Favored Glycine 0 C--N 1.382 3.12 0 CA-C-N 112.831 -1.986 . . . . 1.0 114.287 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.59 27.9 Favored Glycine 0 C--N 1.377 2.847 0 CA-C-O 122.344 0.969 . . . . 1.0 114.623 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 105.99 18.14 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 106.873 -1.528 . . . . 1.0 106.873 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -81.01 114.93 20.22 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 104.987 -2.227 . . . . 1.0 104.987 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.11 124.18 39.99 Favored 'General case' 0 C--N 1.371 1.52 0 N-CA-C 107.322 -1.362 . . . . 1.0 107.322 -177.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -75.98 154.92 35.48 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.653 1.692 . . . . 1.0 109.128 161.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -157.51 149.96 22.81 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-N 112.788 -2.006 . . . . 1.0 108.509 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -106.76 144.44 33.41 Favored 'General case' 0 C--N 1.375 1.69 0 N-CA-C 107.077 -1.453 . . . . 1.0 107.077 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.24 131.52 55.18 Favored 'Isoleucine or valine' 0 C--N 1.374 1.664 0 CA-C-O 123.77 1.748 . . . . 1.0 108.776 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -126.85 170.07 12.59 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 124.028 1.871 . . . . 1.0 108.227 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.4 ttt -132.02 147.74 52.47 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 105.292 -2.114 . . . . 1.0 105.292 170.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.375 0.0 OUTLIER -101.16 -148.8 0.37 Allowed 'General case' 0 C--N 1.374 1.663 0 N-CA-C 107.874 -1.158 . . . . 1.0 107.874 151.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.45 -39.15 15.55 Favored Glycine 0 C--N 1.371 2.526 0 C-N-CA 119.59 -1.29 . . . . 1.0 115.366 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.16 -11.31 37.03 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.176 -0.512 . . . . 1.0 114.368 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -144.12 131.73 21.16 Favored 'General case' 0 C--N 1.381 1.95 0 CA-C-O 122.854 1.312 . . . . 1.0 111.117 -156.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -87.84 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.378 1.843 0 N-CA-C 106.229 -1.767 . . . . 1.0 106.229 165.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.04 108.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.666 0 CA-C-O 123.245 1.497 . . . . 1.0 108.547 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.04 148.09 4.88 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 N-CA-C 106.517 -1.66 . . . . 1.0 106.517 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -147.29 151.99 37.54 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.172 -1.788 . . . . 1.0 106.172 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.25 168.55 6.52 Favored Pre-proline 0 C--N 1.367 1.366 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -80.86 3.27 7.91 Favored 'Trans proline' 0 C--N 1.38 2.191 0 N-CA-C 115.418 1.276 . . . . 1.0 115.418 -163.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.34 38.55 0.14 Allowed 'General case' 0 C--N 1.377 1.792 0 CA-C-O 124.653 2.168 . . . . 1.0 108.002 164.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -162.74 148.44 12.29 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-N 113.788 -1.551 . . . . 1.0 108.493 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -151.67 145.26 24.93 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 105.743 -1.947 . . . . 1.0 105.743 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.542 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 42.0 t60 -151.47 156.01 39.73 Favored 'General case' 0 C--N 1.373 1.617 0 N-CA-C 107.32 -1.363 . . . . 1.0 107.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.79 139.46 10.12 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 105.797 -1.927 . . . . 1.0 105.797 -162.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.6 119.29 3.68 Favored 'General case' 0 C--N 1.375 1.717 0 O-C-N 124.049 0.843 . . . . 1.0 110.021 -163.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -139.77 155.92 47.04 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-O 122.696 1.236 . . . . 1.0 113.48 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.5 mm -105.84 137.51 35.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.808 0 CA-C-N 114.193 -1.367 . . . . 1.0 111.186 -171.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -121.82 -115.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.383 2.038 0 N-CA-C 106.013 -1.847 . . . . 1.0 106.013 169.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.96 46.86 0.83 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 125.357 2.503 . . . . 1.0 111.621 -173.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.8 3.69 36.41 Favored Glycine 0 C--N 1.38 3.014 0 CA-C-N 114.054 -1.43 . . . . 1.0 111.962 -164.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 6.3 tppt? -73.58 127.19 32.08 Favored 'General case' 0 C--N 1.374 1.64 0 N-CA-C 103.764 -2.68 . . . . 1.0 103.764 164.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.62 101.12 10.97 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 103.379 -2.823 . . . . 1.0 103.379 169.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.12 144.52 11.17 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 N-CA-C 105.179 -2.156 . . . . 1.0 105.179 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.542 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 2.3 mt-10 -143.57 146.24 33.16 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 122.96 1.362 . . . . 1.0 110.035 -176.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.9 t -143.3 126.54 13.32 Favored 'Isoleucine or valine' 0 C--N 1.38 1.916 0 N-CA-C 106.842 -1.54 . . . . 1.0 106.842 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -108.63 163.82 12.9 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.886 1.803 . . . . 1.0 110.721 166.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.4 m -153.06 111.47 3.68 Favored 'General case' 0 C--N 1.372 1.552 0 N-CA-C 105.76 -1.941 . . . . 1.0 105.76 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.82 175.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.373 1.601 0 N-CA-C 106.07 -1.826 . . . . 1.0 106.07 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.33 89.5 0.27 Allowed Glycine 0 C--N 1.374 2.644 0 CA-C-O 123.057 1.365 . . . . 1.0 110.014 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.64 -8.98 10.79 Favored Glycine 0 C--N 1.379 2.955 0 N-CA-C 117.528 1.771 . . . . 1.0 117.528 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.7 t -145.19 141.1 22.81 Favored 'Isoleucine or valine' 0 C--N 1.375 1.705 0 CA-C-O 122.562 1.173 . . . . 1.0 108.476 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.3 p -98.0 156.82 16.45 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.73 1.253 . . . . 1.0 109.165 162.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -155.06 117.94 4.35 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 106.61 -1.626 . . . . 1.0 106.61 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -119.81 152.45 37.25 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 124.158 1.933 . . . . 1.0 110.961 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -155.99 164.14 38.84 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-N 112.696 -2.047 . . . . 1.0 111.649 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.32 118.22 52.0 Favored 'Isoleucine or valine' 0 C--N 1.372 1.568 0 CA-C-N 112.722 -2.035 . . . . 1.0 106.546 170.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.0 m -102.04 168.06 9.64 Favored 'General case' 0 C--N 1.377 1.773 0 CA-C-O 123.265 1.507 . . . . 1.0 108.677 163.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -147.21 123.2 10.72 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.65 -1.611 . . . . 1.0 106.65 -170.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -75.96 118.88 19.2 Favored 'General case' 0 C--N 1.378 1.843 0 N-CA-C 105.681 -1.97 . . . . 1.0 105.681 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.5 tp -142.22 7.9 1.8 Allowed 'General case' 0 C--N 1.376 1.725 0 CA-C-O 123.991 1.853 . . . . 1.0 110.888 -170.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.668 0 CA-C-O 127.932 3.73 . . . . 1.0 110.838 -174.53 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 125.576 2.608 . . . . 1.0 108.476 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -69.78 -30.88 68.54 Favored 'General case' 0 C--N 1.391 2.393 0 CA-C-N 110.885 -2.87 . . . . 1.0 111.25 -162.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -65.29 150.03 48.94 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-O 122.897 1.332 . . . . 1.0 111.9 -159.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -172.15 22.03 Favored Glycine 0 C--N 1.379 2.937 0 CA-C-O 122.912 1.284 . . . . 1.0 114.042 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -94.61 145.8 24.57 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.255 -1.473 . . . . 1.0 107.178 173.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.97 166.76 24.04 Favored 'General case' 0 C--N 1.37 1.493 0 CA-C-O 123.998 1.856 . . . . 1.0 109.609 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' OE1' ' NZ ' ' A' ' 124' ' ' LYS . 3.4 tm-20 -151.84 136.34 16.9 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 113.482 -1.69 . . . . 1.0 108.865 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.6 mt -86.68 135.04 26.01 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-N 113.712 -1.586 . . . . 1.0 110.571 -167.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.76 -51.28 8.82 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-N 113.19 -1.823 . . . . 1.0 109.16 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.3 t -167.73 170.75 10.65 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-O 123.063 1.411 . . . . 1.0 109.827 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -130.69 89.91 2.83 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-N 112.577 -2.102 . . . . 1.0 105.742 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -80.56 43.41 0.66 Allowed 'General case' 0 C--N 1.381 1.949 0 N-CA-C 115.207 1.558 . . . . 1.0 115.207 -166.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -164.21 -81.79 0.03 OUTLIER 'General case' 0 C--N 1.375 1.69 0 N-CA-C 106.436 -1.69 . . . . 1.0 106.436 157.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.3 t80 71.1 -55.32 0.65 Allowed 'General case' 0 C--N 1.375 1.715 0 C-N-CA 125.622 1.569 . . . . 1.0 110.387 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' OD1' ' NZ ' ' A' ' 19' ' ' LYS . 13.5 t70 -69.88 -53.63 17.14 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-O 122.591 1.186 . . . . 1.0 108.357 -163.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -75.46 -5.23 44.0 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-N 115.257 -0.883 . . . . 1.0 113.03 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.08 -51.82 8.55 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 122.5 1.143 . . . . 1.0 108.734 166.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.29 -30.38 69.37 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 122.222 1.011 . . . . 1.0 110.404 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' NZ ' ' OD1' ' A' ' 15' ' ' ASP . 30.7 mttp -68.05 -38.78 82.85 Favored 'General case' 0 C--N 1.384 2.074 0 CA-C-O 123.854 1.788 . . . . 1.0 108.431 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -28.12 65.7 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-N 113.11 -1.859 . . . . 1.0 113.21 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -76.97 -17.59 58.78 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.5 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 81.16 39.28 0.07 Allowed 'General case' 0 C--N 1.374 1.655 0 C-N-CA 126.013 1.725 . . . . 1.0 112.549 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.25 157.31 34.3 Favored Pre-proline 0 C--N 1.379 1.851 0 CA-C-N 114.265 -1.334 . . . . 1.0 110.096 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -88.2 156.65 6.91 Favored 'Trans proline' 0 C--N 1.386 2.533 0 CA-C-O 124.203 1.668 . . . . 1.0 113.766 -162.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 p -82.03 57.63 3.6 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-O 123.976 1.846 . . . . 1.0 110.515 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.471 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 33.8 t70 -139.06 -46.62 0.47 Allowed 'General case' 0 C--N 1.378 1.811 0 N-CA-C 104.418 -2.438 . . . . 1.0 104.418 160.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.98 -34.36 75.18 Favored 'General case' 0 C--N 1.39 2.344 0 CA-C-N 113.429 -1.714 . . . . 1.0 110.235 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.55 -44.27 70.72 Favored 'Isoleucine or valine' 0 C--N 1.378 1.805 0 N-CA-C 107.164 -1.421 . . . . 1.0 107.164 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -30.81 64.37 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.746 -161.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' A' ' 26' ' ' ASP . 57.0 mttp -77.61 -19.05 56.18 Favored 'General case' 0 C--N 1.377 1.781 0 CA-C-N 115.114 -0.948 . . . . 1.0 112.026 175.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.92 -29.37 13.35 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 114.892 1.441 . . . . 1.0 114.892 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -76.36 29.05 0.12 Allowed 'General case' 0 C--N 1.382 1.997 0 N-CA-C 117.199 2.296 . . . . 1.0 117.199 -156.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.89 32.99 0.26 Allowed 'General case' 0 C--N 1.37 1.479 0 CA-C-O 123.761 1.743 . . . . 1.0 109.32 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.4 mt -98.27 168.42 10.24 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.515 2.103 . . . . 1.0 112.229 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -139.14 91.17 2.49 Favored 'General case' 0 C--N 1.381 1.961 0 CA-C-N 112.402 -2.181 . . . . 1.0 105.937 -177.564 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.42 149.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 CA-C-N 113.132 -1.849 . . . . 1.0 110.178 -172.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mm -99.77 154.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.385 2.137 0 N-CA-C 106.266 -1.753 . . . . 1.0 106.266 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.9 147.43 27.19 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.552 1.168 . . . . 1.0 113.674 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.62 155.3 30.11 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.2 113.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.498 0 CA-C-O 123.223 1.487 . . . . 1.0 107.054 164.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -101.76 141.43 34.64 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-N 113.197 -1.819 . . . . 1.0 106.148 172.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -93.32 145.12 24.69 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 106.366 -1.716 . . . . 1.0 106.366 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -110.09 -34.59 6.35 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-O 122.346 1.069 . . . . 1.0 109.141 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.94 -103.63 0.18 Allowed Glycine 0 C--N 1.378 2.892 0 N-CA-C 107.729 -2.148 . . . . 1.0 107.729 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -80.61 -16.96 52.78 Favored 'General case' 0 C--N 1.381 1.935 0 CA-C-O 123.396 1.57 . . . . 1.0 109.278 162.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.41 153.88 18.25 Favored 'General case' 0 C--N 1.372 1.546 0 CA-C-O 122.909 1.338 . . . . 1.0 109.19 177.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.52 155.66 42.01 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 113.193 -1.821 . . . . 1.0 106.463 169.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.5 m -123.36 103.15 8.31 Favored 'General case' 0 C--N 1.369 1.429 0 N-CA-C 105.347 -2.094 . . . . 1.0 105.347 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -93.15 145.65 24.25 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.927 -1.942 . . . . 1.0 106.282 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.2 t -147.88 146.11 28.93 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-O 122.43 1.109 . . . . 1.0 108.278 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.65 131.64 45.0 Favored 'General case' 0 C--N 1.371 1.521 0 N-CA-C 106.562 -1.644 . . . . 1.0 106.562 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.61 119.03 34.34 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 106.489 -1.671 . . . . 1.0 106.489 164.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -77.33 151.46 80.94 Favored Pre-proline 0 C--N 1.377 1.775 0 N-CA-C 104.377 -2.453 . . . . 1.0 104.377 166.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -72.25 95.02 0.75 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 CA-C-O 124.542 1.809 . . . . 1.0 110.097 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.24 -55.49 4.94 Favored Glycine 0 C--N 1.381 3.029 0 CA-C-N 112.821 -1.991 . . . . 1.0 113.226 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.52 -9.16 87.26 Favored Glycine 0 C--N 1.382 3.091 0 N-CA-C 117.185 1.634 . . . . 1.0 117.185 -156.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.77 167.25 6.42 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.432 1.587 . . . . 1.0 109.64 176.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.2 p -113.03 161.7 16.74 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 106.68 -1.6 . . . . 1.0 106.68 152.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.9 mt -129.48 142.03 44.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 N-CA-C 102.378 -3.194 . . . . 1.0 102.378 169.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -163.5 148.06 10.83 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.903 -1.748 . . . . 1.0 108.03 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 144.44 20.47 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 107.716 -1.216 . . . . 1.0 107.716 164.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.0 m -84.36 146.89 27.46 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 104.936 -2.246 . . . . 1.0 104.936 160.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -151.97 159.92 43.63 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 108.111 -1.07 . . . . 1.0 108.111 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -132.57 131.77 41.85 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-O 122.555 1.169 . . . . 1.0 111.151 -174.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.81 114.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.772 0 CA-C-N 114.537 -1.211 . . . . 1.0 108.468 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.79 -6.6 57.14 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 114.336 -1.302 . . . . 1.0 115.723 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 24.3 tttm -100.95 161.41 13.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-O 122.882 1.325 . . . . 1.0 108.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -76.9 150.69 35.98 Favored 'General case' 0 C--N 1.385 2.126 0 CA-C-O 123.971 1.843 . . . . 1.0 109.156 154.035 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 74.4 m -136.0 158.34 44.65 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 106.759 -1.571 . . . . 1.0 106.759 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.97 140.11 30.11 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 104.053 -2.573 . . . . 1.0 104.053 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.0 mm -149.87 132.48 6.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.502 0 N-CA-C 106.944 -1.502 . . . . 1.0 106.944 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -162.19 168.79 21.89 Favored 'General case' 0 C--N 1.374 1.642 0 CA-C-O 123.162 1.458 . . . . 1.0 107.263 149.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.17 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.367 1.352 0 CA-C-N 113.705 -1.589 . . . . 1.0 115.242 171.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.95 -29.43 5.22 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 CA-C-O 121.848 0.832 . . . . 1.0 112.483 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.36 -6.93 4.59 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.381 -0.827 . . . . 1.0 113.818 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.25 -12.34 55.08 Favored Glycine 0 C--N 1.374 2.683 0 N-CA-C 116.826 1.491 . . . . 1.0 116.826 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -86.22 25.99 1.1 Allowed 'General case' 0 C--N 1.374 1.659 0 N-CA-C 116.446 2.017 . . . . 1.0 116.446 -160.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 72' ' ' GLU . 53.7 tttp 49.35 72.19 0.32 Allowed 'General case' 0 C--N 1.375 1.691 0 CA-C-N 113.142 -1.844 . . . . 1.0 113.741 163.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 155.61 33.63 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 123.929 1.823 . . . . 1.0 111.296 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -90.79 156.52 17.99 Favored 'General case' 0 C--N 1.385 2.131 0 CA-C-N 113.675 -1.602 . . . . 1.0 106.836 161.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.49 141.73 20.52 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 114.667 -1.151 . . . . 1.0 109.052 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -92.43 114.28 26.79 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 105.775 -1.935 . . . . 1.0 105.775 167.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.9 t -99.1 138.25 24.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 CA-C-O 123.586 1.66 . . . . 1.0 107.012 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -156.99 167.44 30.47 Favored 'General case' 0 C--N 1.374 1.671 0 CA-C-O 124.785 2.231 . . . . 1.0 110.1 -162.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.39 135.15 47.3 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 103.277 -2.86 . . . . 1.0 103.277 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.57 ' OE2' ' NE2' ' A' ' 98' ' ' HIS . 2.6 tt0 -105.18 3.78 30.56 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 122.616 1.198 . . . . 1.0 110.214 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.79 87.17 1.98 Allowed Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.86 1.256 . . . . 1.0 111.38 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.27 70.78 Favored Glycine 0 C--N 1.388 3.465 0 CA-C-N 113.66 -1.27 . . . . 1.0 114.756 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 4.6 ttmp? -173.65 101.84 0.11 Allowed 'General case' 0 C--N 1.374 1.673 0 N-CA-C 102.227 -3.249 . . . . 1.0 102.227 -133.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -81.45 156.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.466 0 N-CA-C 106.927 -1.509 . . . . 1.0 106.927 -175.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.4 p -149.47 139.9 16.49 Favored 'Isoleucine or valine' 0 C--N 1.377 1.798 0 CA-C-O 123.944 1.831 . . . . 1.0 111.801 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -112.35 103.12 14.94 Favored 'Isoleucine or valine' 0 C--N 1.376 1.733 0 N-CA-C 103.726 -2.694 . . . . 1.0 103.726 164.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -94.21 154.93 17.3 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 106.836 -1.542 . . . . 1.0 106.836 171.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.55 170.71 3.53 Favored Pre-proline 0 C--N 1.371 1.528 0 O-C-N 121.253 -0.904 . . . . 1.0 110.036 -167.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -62.21 103.9 0.32 Allowed 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.591 1.413 . . . . 1.0 111.516 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 67.36 32.7 5.72 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 123.558 1.647 . . . . 1.0 111.039 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -162.72 131.31 4.02 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 114.435 -1.257 . . . . 1.0 108.102 -169.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.57 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 8.7 t60 -144.06 135.74 26.04 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 106.196 -1.779 . . . . 1.0 106.196 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -142.7 111.94 6.6 Favored 'General case' 0 C--N 1.374 1.655 0 N-CA-C 107.058 -1.46 . . . . 1.0 107.058 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 p -96.59 161.45 13.89 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-O 123.346 1.546 . . . . 1.0 110.846 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.18 155.27 46.51 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 113.43 -1.714 . . . . 1.0 108.597 161.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 1.1 mm-40 -148.31 156.41 42.5 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 114.705 -1.134 . . . . 1.0 109.369 -168.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.0 mm -120.65 99.39 7.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.658 0 CA-C-O 123.484 1.611 . . . . 1.0 107.948 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -83.46 -161.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.386 2.162 0 N-CA-C 104.711 -2.329 . . . . 1.0 104.711 162.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.68 78.33 0.07 Allowed 'General case' 0 C--N 1.378 1.812 0 CA-C-O 124.929 2.3 . . . . 1.0 111.7 -165.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 67.49 3.81 28.09 Favored Glycine 0 C--N 1.386 3.355 0 CA-C-N 113.054 -1.885 . . . . 1.0 115.146 -172.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -92.23 125.93 37.1 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 105.331 -2.1 . . . . 1.0 105.331 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.2 tp -92.16 105.05 17.36 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 105.144 -2.169 . . . . 1.0 105.144 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.37 153.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 CA-C-O 123.212 1.482 . . . . 1.0 108.024 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -132.8 156.58 46.85 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 114.12 -1.4 . . . . 1.0 108.939 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.8 t -141.45 132.53 27.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 171.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 m -108.87 154.49 22.04 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 122.162 0.982 . . . . 1.0 109.356 159.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 94.0 m -144.29 128.62 17.85 Favored 'General case' 0 C--N 1.375 1.699 0 N-CA-C 106.062 -1.829 . . . . 1.0 106.062 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.03 47.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 CA-C-O 125.173 2.416 . . . . 1.0 108.18 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.95 -79.04 1.73 Allowed Glycine 0 C--N 1.379 2.936 0 CA-C-N 113.218 -1.81 . . . . 1.0 110.063 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.75 1.39 63.59 Favored Glycine 0 C--N 1.376 2.775 0 N-CA-C 116.569 1.388 . . . . 1.0 116.569 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.5 t -144.14 148.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.373 1.599 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -112.52 167.35 10.52 Favored 'General case' 0 C--N 1.38 1.919 0 CA-C-O 123.849 1.785 . . . . 1.0 109.676 166.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -158.87 98.23 1.47 Allowed 'General case' 0 C--N 1.373 1.591 0 N-CA-C 105.83 -1.915 . . . . 1.0 105.83 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -97.31 155.6 16.81 Favored 'General case' 0 C--N 1.373 1.611 0 CA-C-O 123.824 1.773 . . . . 1.0 108.82 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -151.48 143.86 24.14 Favored 'General case' 0 C--N 1.375 1.683 0 CA-C-N 113.466 -1.697 . . . . 1.0 107.131 -168.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 42.0 t -127.78 136.57 60.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.84 0 CA-C-O 122.279 1.038 . . . . 1.0 108.28 -174.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.0 166.28 25.08 Favored 'General case' 0 C--N 1.376 1.76 0 CA-C-O 123.259 1.504 . . . . 1.0 109.639 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.474 ' NZ ' ' OE1' ' A' ' 7' ' ' GLU . 0.4 OUTLIER -142.48 163.11 33.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-O 122.799 1.285 . . . . 1.0 109.272 174.507 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -86.35 138.35 31.88 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-N 114.097 -1.41 . . . . 1.0 110.201 -168.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.9 mt -101.57 49.69 0.86 Allowed 'General case' 0 C--N 1.379 1.855 0 CA-C-O 124.648 2.166 . . . . 1.0 109.51 172.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.526 0 CA-C-O 125.168 2.414 . . . . 1.0 107.797 170.011 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.527 ' N ' HE22 ' A' ' 42' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 124.123 1.916 . . . . 1.0 110.774 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.26 -18.49 42.28 Favored 'General case' 0 C--N 1.376 1.749 0 CA-C-N 113.151 -1.841 . . . . 1.0 112.621 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.3 m -62.27 152.9 32.27 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-O 124.481 2.086 . . . . 1.0 111.757 -162.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.55 -178.53 19.28 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 113.737 -1.574 . . . . 1.0 112.831 169.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 42.7 tttp -90.3 149.52 22.31 Favored 'General case' 0 C--N 1.38 1.93 0 N-CA-C 105.829 -1.915 . . . . 1.0 105.829 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -141.36 152.55 44.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 107.917 -1.142 . . . . 1.0 107.917 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 1.8 tt0 -127.11 161.83 27.53 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 108.067 -1.086 . . . . 1.0 108.067 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.9 mt -81.73 134.64 26.63 Favored 'Isoleucine or valine' 0 C--N 1.375 1.685 0 CA-C-O 123.237 1.494 . . . . 1.0 110.606 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -86.49 -51.23 6.32 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-N 113.524 -1.671 . . . . 1.0 109.347 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -164.32 159.19 19.57 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.414 1.102 . . . . 1.0 111.11 -168.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -149.93 168.98 22.25 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 126.7 2.0 . . . . 1.0 107.104 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -141.16 -38.99 0.41 Allowed 'General case' 0 C--N 1.383 2.063 0 CA-C-N 114.56 -1.2 . . . . 1.0 111.657 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -114.07 14.83 18.39 Favored 'General case' 0 C--N 1.382 1.988 0 CA-C-O 122.61 1.195 . . . . 1.0 114.087 -157.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -61.13 -46.45 90.51 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 122.63 1.205 . . . . 1.0 109.795 -166.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' OD1' ' NZ ' ' A' ' 19' ' ' LYS . 17.0 t70 -68.52 -45.14 73.06 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-O 123.216 1.484 . . . . 1.0 107.773 -167.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -65.49 -34.04 77.33 Favored 'General case' 0 C--N 1.385 2.138 0 CA-C-N 114.113 -1.403 . . . . 1.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.05 -45.57 76.98 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-O 122.368 1.08 . . . . 1.0 109.067 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 64.7 mmm -68.64 -26.64 65.43 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.79 0.805 . . . . 1.0 110.618 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' NZ ' ' OD1' ' A' ' 15' ' ' ASP . 34.9 mttp -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 122.307 1.051 . . . . 1.0 110.018 176.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -70.95 -31.2 67.71 Favored 'General case' 0 C--N 1.384 2.097 0 CA-C-N 115.043 -0.98 . . . . 1.0 112.813 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.5 -30.05 61.66 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.758 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 74.56 46.86 0.14 Allowed 'General case' 0 C--N 1.376 1.721 0 CA-C-O 123.646 1.688 . . . . 1.0 112.607 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.1 157.18 78.83 Favored Pre-proline 0 C--N 1.386 2.193 0 CA-C-N 113.834 -1.53 . . . . 1.0 108.735 166.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -74.18 154.47 46.74 Favored 'Trans proline' 0 C--N 1.381 2.28 0 CA-C-O 124.345 1.727 . . . . 1.0 109.682 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.3 m -62.77 -35.37 79.6 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 117.831 -1.548 . . . . 1.0 114.52 -153.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -74.71 -30.1 61.41 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-O 122.784 1.278 . . . . 1.0 110.579 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.9 -22.4 64.17 Favored 'General case' 0 C--N 1.385 2.136 0 C-N-CA 118.942 -1.103 . . . . 1.0 111.707 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.5 mt -77.0 -48.34 25.43 Favored 'Isoleucine or valine' 0 C--N 1.38 1.899 0 N-CA-C 108.173 -1.047 . . . . 1.0 108.173 168.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.456 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 38.6 t70 -62.59 -39.89 95.16 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-O 122.941 1.353 . . . . 1.0 110.05 -166.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 16.95 1.09 Allowed 'General case' 0 C--N 1.378 1.815 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.26 13.13 4.22 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 114.789 1.403 . . . . 1.0 114.789 158.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' NH1' ' OD1' ' A' ' 29' ' ' ASP . 63.4 mtt180 -73.53 142.16 46.71 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-O 124.881 2.276 . . . . 1.0 111.005 173.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.78 98.02 11.53 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 104.371 -2.455 . . . . 1.0 104.371 -65.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.59 157.41 36.72 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 124.628 2.156 . . . . 1.0 110.423 -171.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 6.7 mtpm? -79.35 86.42 5.08 Favored 'General case' 0 C--N 1.384 2.079 0 N-CA-C 106.166 -1.79 . . . . 1.0 106.166 172.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.1 mt -72.38 137.53 23.34 Favored 'Isoleucine or valine' 0 C--N 1.38 1.896 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.55 148.2 10.3 Favored 'Isoleucine or valine' 0 C--N 1.376 1.753 0 N-CA-C 104.231 -2.507 . . . . 1.0 104.231 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.44 150.33 47.54 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-O 123.025 1.393 . . . . 1.0 111.233 -178.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -124.17 151.03 44.51 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 106.363 -1.718 . . . . 1.0 106.363 176.526 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.64 133.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.371 1.542 0 CA-C-N 113.968 -1.469 . . . . 1.0 108.416 164.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 44.3 tttm -118.27 142.98 46.93 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 113.721 -1.582 . . . . 1.0 106.865 167.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.527 HE22 ' N ' ' A' ' 1' ' ' ALA . 10.9 mt-30 -94.55 145.75 24.59 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-N 114.569 -1.196 . . . . 1.0 108.272 166.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.572 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 34.4 m-20 -145.5 51.84 1.19 Allowed 'General case' 0 C--N 1.375 1.69 0 CA-C-O 124.415 2.055 . . . . 1.0 106.246 -163.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.98 36.77 56.94 Favored Glycine 0 C--N 1.388 3.471 0 C-N-CA 118.347 -1.882 . . . . 1.0 112.677 163.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 96.62 -19.99 0.05 Allowed 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.22 1.808 . . . . 1.0 111.635 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -79.22 155.69 28.49 Favored 'General case' 0 C--N 1.38 1.917 0 N-CA-C 107.357 -1.349 . . . . 1.0 107.357 156.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -131.86 135.15 46.47 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 104.677 -2.342 . . . . 1.0 104.677 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.0 m -113.71 103.82 11.61 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 105.532 -2.025 . . . . 1.0 105.532 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -100.57 157.89 16.33 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 124.271 1.986 . . . . 1.0 108.901 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -157.23 149.4 22.76 Favored 'General case' 0 C--N 1.374 1.633 0 O-C-N 120.26 -1.525 . . . . 1.0 111.427 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -120.78 128.46 52.91 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 104.674 -2.343 . . . . 1.0 104.674 166.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.75 129.56 34.82 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-O 122.442 1.115 . . . . 1.0 108.785 168.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -95.4 126.46 45.82 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 105.729 -1.952 . . . . 1.0 105.729 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -71.73 62.11 3.01 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.027 1.818 . . . . 1.0 114.514 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.12 34.17 0.09 OUTLIER Glycine 0 C--N 1.379 2.955 0 CA-C-O 123.371 1.539 . . . . 1.0 111.006 -168.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.89 23.73 40.73 Favored Glycine 0 C--N 1.385 3.293 0 C-N-CA 119.72 -1.229 . . . . 1.0 114.488 162.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.95 162.99 34.53 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 123.728 1.728 . . . . 1.0 110.566 166.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 p -109.68 159.64 16.97 Favored 'General case' 0 C--N 1.371 1.513 0 CA-C-N 113.598 -1.637 . . . . 1.0 108.076 160.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.85 99.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 N-CA-C 101.891 -3.374 . . . . 1.0 101.891 158.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.8 m -105.01 148.69 26.47 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-N 114.297 -1.32 . . . . 1.0 107.641 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.84 142.79 15.34 Favored 'General case' 0 C--N 1.374 1.645 0 N-CA-C 108.769 -0.826 . . . . 1.0 108.769 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -112.04 144.05 42.03 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 162.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -146.97 155.26 42.12 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-O 122.786 1.279 . . . . 1.0 109.121 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -115.3 120.76 40.72 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 122.871 1.319 . . . . 1.0 107.668 -176.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.28 139.14 19.56 Favored 'Isoleucine or valine' 0 C--N 1.375 1.701 0 CA-C-O 122.966 1.365 . . . . 1.0 110.117 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.59 42.37 Favored Glycine 0 C--N 1.381 3.048 0 CA-C-N 113.998 -1.455 . . . . 1.0 115.666 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 8.2 ptmm? -152.94 -174.97 5.12 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 122.379 1.085 . . . . 1.0 109.263 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -84.27 154.83 22.74 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 123.359 1.552 . . . . 1.0 109.498 161.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.8 m -130.59 157.6 42.27 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 106.329 -1.73 . . . . 1.0 106.329 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.58 149.48 24.91 Favored 'General case' 0 C--N 1.372 1.582 0 N-CA-C 106.022 -1.844 . . . . 1.0 106.022 171.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.4 mm -142.15 144.79 24.69 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 N-CA-C 107.151 -1.426 . . . . 1.0 107.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.94 64.18 0.58 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-O 125.317 2.484 . . . . 1.0 111.593 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.9 p -137.5 169.78 17.2 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-N 113.022 -1.899 . . . . 1.0 110.123 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm 65.87 57.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 CA-C-O 123.859 1.79 . . . . 1.0 108.272 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.25 -25.99 1.4 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 114.063 -1.426 . . . . 1.0 113.254 166.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.74 45.55 6.73 Favored Glycine 0 C--N 1.383 3.165 0 CA-C-O 123.267 1.481 . . . . 1.0 110.078 -165.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -134.99 158.72 43.61 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 107.265 -1.383 . . . . 1.0 107.265 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -94.84 151.9 18.85 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 114.39 -1.277 . . . . 1.0 108.052 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.64 156.14 38.67 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.32 1.534 . . . . 1.0 107.231 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -108.22 158.83 17.11 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 106.727 -1.582 . . . . 1.0 106.727 162.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.77 137.3 21.21 Favored 'General case' 0 C--N 1.371 1.528 0 CA-C-N 115.18 -0.918 . . . . 1.0 109.402 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.69 148.96 22.99 Favored 'General case' 0 C--N 1.378 1.833 0 N-CA-C 107.469 -1.308 . . . . 1.0 107.469 167.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -155.45 137.65 6.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 123.531 1.634 . . . . 1.0 110.232 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -158.05 158.96 35.77 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 123.212 1.482 . . . . 1.0 111.276 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 ttt -95.9 157.76 15.75 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.426 -1.715 . . . . 1.0 107.982 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.339 0.9 OUTLIER -147.42 -149.9 0.31 Allowed 'General case' 0 C--N 1.368 1.388 0 CA-C-N 113.558 -1.656 . . . . 1.0 106.822 172.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.61 70.24 1.14 Allowed Glycine 0 C--N 1.363 2.082 0 N-CA-C 117.08 1.592 . . . . 1.0 117.08 -161.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.35 23.43 43.94 Favored Glycine 0 C--N 1.382 3.102 0 CA-C-O 122.759 1.199 . . . . 1.0 112.852 -175.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.26 147.35 26.26 Favored 'General case' 0 C--N 1.378 1.823 0 N-CA-C 107.25 -1.389 . . . . 1.0 107.25 -159.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.5 t -113.05 138.85 41.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.455 0 N-CA-C 106.485 -1.672 . . . . 1.0 106.485 172.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.5 m -117.62 136.79 53.65 Favored 'Isoleucine or valine' 0 C--N 1.379 1.863 0 N-CA-C 107.909 -1.145 . . . . 1.0 107.909 167.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 t -112.31 148.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 N-CA-C 104.138 -2.541 . . . . 1.0 104.138 165.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.01 148.3 32.57 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 105.21 -2.144 . . . . 1.0 105.21 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.4 p -165.4 175.36 2.48 Favored Pre-proline 0 C--N 1.366 1.286 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -174.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -71.37 40.86 0.4 Allowed 'Trans proline' 0 C--N 1.379 2.161 0 N-CA-C 117.838 2.207 . . . . 1.0 117.838 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . 0.268 49.3 p30 161.18 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.379 1.883 0 C-N-CA 125.115 1.366 . . . . 1.0 110.821 158.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -103.09 94.46 5.55 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 106.523 -1.658 . . . . 1.0 106.523 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.58 146.8 26.72 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.273 -1.751 . . . . 1.0 106.273 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -141.78 159.19 42.72 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 123.678 1.704 . . . . 1.0 107.498 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.8 138.59 13.1 Favored 'General case' 0 C--N 1.362 1.126 0 N-CA-C 103.476 -2.787 . . . . 1.0 103.476 -172.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.64 142.52 29.12 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 108.17 -1.048 . . . . 1.0 108.17 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.28 139.19 10.56 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.934 1.349 . . . . 1.0 110.558 -161.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 mm -99.61 124.93 53.27 Favored 'Isoleucine or valine' 0 C--N 1.381 1.969 0 CA-C-N 113.88 -1.509 . . . . 1.0 108.308 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.71 133.87 42.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 104.722 -2.325 . . . . 1.0 104.722 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.509 ' OD1' ' NZ ' ' A' ' 124' ' ' LYS 0.321 1.1 p30 58.98 17.36 5.33 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 124.56 2.124 . . . . 1.0 116.473 172.012 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.28 -2.67 56.25 Favored Glycine 0 C--N 1.385 3.256 0 O-C-N 120.516 -1.365 . . . . 1.0 114.598 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.525 ' N ' ' HZ1' ' A' ' 124' ' ' LYS . 0.2 OUTLIER -68.19 154.41 41.77 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 106.69 -1.596 . . . . 1.0 106.69 159.095 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -123.97 96.68 5.04 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 102.45 -3.167 . . . . 1.0 102.45 169.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.32 141.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.375 1.676 0 N-CA-C 105.487 -2.042 . . . . 1.0 105.487 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -119.73 154.15 34.58 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 122.752 1.263 . . . . 1.0 108.563 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.0 107.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.778 0 N-CA-C 105.964 -1.865 . . . . 1.0 105.964 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.69 162.76 17.74 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 124.118 1.914 . . . . 1.0 111.578 158.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 144.68 38.39 Favored 'General case' 0 C--N 1.375 1.704 0 CA-C-N 112.605 -2.089 . . . . 1.0 105.445 166.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.57 48.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 125.795 2.712 . . . . 1.0 107.921 -171.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.72 -94.04 1.41 Allowed Glycine 0 C--N 1.378 2.891 0 CA-C-N 111.928 -2.396 . . . . 1.0 108.434 -175.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.61 12.49 66.14 Favored Glycine 0 C--N 1.377 2.845 0 N-CA-C 116.414 1.325 . . . . 1.0 116.414 -170.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.97 145.25 24.3 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 N-CA-C 107.375 -1.342 . . . . 1.0 107.375 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 163.45 13.69 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-O 122.614 1.197 . . . . 1.0 108.867 165.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -143.04 86.21 1.91 Allowed 'General case' 0 C--N 1.369 1.433 0 N-CA-C 106.518 -1.66 . . . . 1.0 106.518 162.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.4 pm0 -79.27 146.79 32.81 Favored 'General case' 0 C--N 1.367 1.367 0 CA-C-N 112.124 -2.307 . . . . 1.0 109.93 168.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.73 134.35 10.83 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 112.819 -1.992 . . . . 1.0 106.115 -171.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.66 117.6 54.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.447 0 N-CA-C 106.613 -1.625 . . . . 1.0 106.613 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.41 160.61 22.73 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 122.515 1.15 . . . . 1.0 109.113 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.525 ' HZ1' ' N ' ' A' ' 107' ' ' LYS . 16.9 tppt? -146.86 142.78 28.02 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-O 123.49 1.614 . . . . 1.0 109.205 -170.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -82.77 80.61 8.81 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.557 1.646 . . . . 1.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.7 mt -83.47 44.62 0.98 Allowed 'General case' 0 C--N 1.371 1.501 0 CA-C-O 125.819 2.724 . . . . 1.0 110.9 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.375 1.711 0 CA-C-N 112.776 -2.011 . . . . 1.0 111.257 169.214 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.63 0.728 . . . . 0.57 111.372 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.7 m -69.17 154.57 41.83 Favored 'General case' 0 C--N 1.37 1.496 0 CA-C-O 122.819 1.295 . . . . 0.57 110.583 -167.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.32 177.39 20.06 Favored Glycine 0 C--N 1.38 2.98 0 CA-C-O 123.699 1.721 . . . . 0.57 115.093 168.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.2 tttp -101.68 112.87 25.59 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 104.5 -2.407 . . . . 0.57 104.5 169.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.97 141.3 42.93 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 107.869 -1.16 . . . . 0.57 107.869 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -101.73 160.45 14.45 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 107.308 -1.368 . . . . 0.91 107.308 168.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.44 129.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.375 1.686 0 CA-C-O 123.333 1.54 . . . . 0.57 107.807 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.7 -43.86 16.35 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 107.29 -1.374 . . . . 0.91 107.29 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -176.73 162.56 2.2 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-O 122.715 1.245 . . . . 0.57 111.321 175.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' OE2' ' NH1' ' A' ' 121' ' ' ARG . 61.3 mt-10 -141.81 160.66 39.73 Favored 'General case' 0 C--N 1.378 1.845 0 N-CA-C 106.335 -1.728 . . . . 0.91 106.335 174.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.76 19.69 0.46 Allowed 'General case' 0 C--N 1.385 2.121 0 N-CA-C 115.32 1.6 . . . . 0.57 115.32 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.23 18.43 0.29 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 117.21 -1.796 . . . . 0.57 114.309 -176.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -44.43 65.36 Favored 'General case' 0 C--N 1.381 1.939 0 CA-C-O 123.024 1.393 . . . . 0.57 110.547 -161.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.78 -48.05 83.55 Favored 'General case' 0 C--N 1.379 1.889 0 CA-C-O 122.753 1.263 . . . . 0.91 108.442 -161.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -69.85 -27.13 64.59 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 114.433 -1.258 . . . . 0.91 112.965 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -66.4 -36.68 83.46 Favored 'General case' 0 C--N 1.37 1.484 0 CA-C-O 122.594 1.188 . . . . 0.57 109.586 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.9 mmm -65.53 -30.88 71.69 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.732 1.254 . . . . 0.57 110.029 -171.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -72.3 -30.93 65.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 114.571 -1.195 . . . . 0.57 111.057 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -76.33 -26.77 56.12 Favored 'General case' 0 C--N 1.384 2.093 0 CA-C-O 122.797 1.284 . . . . 1.2 111.552 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.3 mt -78.91 -29.39 44.23 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.872 -1.058 . . . . 0.57 111.728 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.646 0 CA-C-O 123.27 1.509 . . . . 0.57 110.625 -171.673 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.539 0.532 0 CA-C-O 120.738 0.304 . . . . 0.57 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 30' ' ' LYS . 31.5 p-10 -69.58 -47.48 63.45 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-O 122.07 0.938 . . . . 0.91 111.089 172.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 29.9 mttp -89.1 3.76 50.71 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 119.374 -0.93 . . . . 0.57 111.721 -159.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.91 5.01 49.45 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 113.819 1.044 . . . . 0.57 113.819 164.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.81 79.09 1.59 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.771 1.748 . . . . 1.2 112.147 -168.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 83.51 36.29 0.04 OUTLIER 'General case' 0 C--N 1.376 1.729 0 CA-C-N 113.067 -1.878 . . . . 0.57 111.272 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 mt -78.28 154.73 30.69 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 124.041 1.877 . . . . 0.57 110.688 167.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -85.82 93.99 9.03 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 104.479 -2.415 . . . . 0.57 104.479 159.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -73.75 152.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 N-CA-C 105.799 -1.926 . . . . 0.57 105.799 171.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.13 120.93 61.76 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 N-CA-C 105.78 -1.933 . . . . 0.57 105.78 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -92.09 114.86 27.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 107.283 -1.377 . . . . 0.57 107.283 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 11.2 mm-40 -94.86 143.68 26.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 105.79 -1.93 . . . . 0.91 105.79 171.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -143.71 93.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 106.236 -1.764 . . . . 0.57 106.236 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 1.4 tmmt? -90.35 122.55 33.33 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 105.188 -2.153 . . . . 0.57 105.188 163.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -96.63 136.73 36.75 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 105.102 -2.184 . . . . 0.57 105.102 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.456 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.8 m-20 -100.39 -31.19 11.44 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-O 123.188 1.47 . . . . 0.91 108.306 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.59 -96.05 0.11 Allowed Glycine 0 C--N 1.382 3.133 0 N-CA-C 106.511 -2.636 . . . . 0.57 106.511 168.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -82.28 -19.5 39.4 Favored 'General case' 0 C--N 1.378 1.826 0 CA-C-O 123.121 1.439 . . . . 0.57 109.201 162.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -89.65 157.43 18.02 Favored 'General case' 0 C--N 1.382 2.016 0 N-CA-C 107.091 -1.448 . . . . 0.57 107.091 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -139.62 152.9 47.16 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-N 114.059 -1.428 . . . . 0.57 107.728 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.7 m -132.14 86.73 2.36 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 104.852 -2.277 . . . . 0.57 104.852 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -84.81 156.35 21.39 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 113.063 -1.881 . . . . 0.57 107.446 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -151.49 143.84 24.11 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-N 114.859 -1.064 . . . . 0.57 109.053 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -114.51 98.95 7.2 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 105.413 -2.069 . . . . 0.57 105.413 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -92.34 153.61 19.09 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 124.203 1.954 . . . . 0.57 109.551 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -156.24 93.68 2.46 Favored Pre-proline 0 C--N 1.379 1.854 0 N-CA-C 105.221 -2.14 . . . . 0.57 105.221 -142.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -77.09 64.61 7.82 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-O 124.498 1.791 . . . . 0.57 112.034 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.37 18.7 0.61 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 112.994 -1.912 . . . . 0.57 111.027 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.4 11.09 64.88 Favored Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.541 1.078 . . . . 0.57 114.292 168.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -134.62 179.57 6.21 Favored 'General case' 0 C--N 1.373 1.627 0 N-CA-C 105.533 -2.025 . . . . 0.57 105.533 171.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -177.38 162.65 1.92 Allowed 'General case' 0 C--N 1.365 1.281 0 N-CA-C 106.314 -1.736 . . . . 0.57 106.314 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.3 mt -139.2 100.49 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.675 0 N-CA-C 108.409 -0.959 . . . . 0.57 108.409 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.9 m -89.1 158.87 17.8 Favored 'General case' 0 C--N 1.375 1.701 0 CA-C-O 122.353 1.073 . . . . 0.57 108.21 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -159.31 116.9 2.74 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-O 122.031 0.92 . . . . 0.57 108.629 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.0 m -92.0 136.79 32.89 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 106.025 -1.843 . . . . 0.57 106.025 167.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -148.68 169.61 20.01 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-O 123.057 1.408 . . . . 0.57 110.039 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.6 m -131.69 137.78 48.43 Favored 'General case' 0 C--N 1.379 1.88 0 CA-C-N 114.952 -1.022 . . . . 0.57 108.634 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -85.77 141.19 14.83 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 122.759 1.266 . . . . 0.57 109.655 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.55 38.06 15.47 Favored Glycine 0 C--N 1.383 3.157 0 CA-C-N 114.226 -1.352 . . . . 0.57 112.164 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.0 tttm -160.39 166.68 28.88 Favored 'General case' 0 C--N 1.376 1.731 0 N-CA-C 107.106 -1.442 . . . . 0.57 107.106 -170.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -87.26 150.14 24.09 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.444 1.592 . . . . 0.91 109.005 153.226 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -125.53 156.88 38.34 Favored 'General case' 0 C--N 1.37 1.476 0 N-CA-C 106.652 -1.611 . . . . 0.57 106.652 166.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.82 148.4 22.55 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 105.627 -1.99 . . . . 0.91 105.627 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.1 mm -145.33 133.07 16.11 Favored 'Isoleucine or valine' 0 C--N 1.374 1.671 0 CA-C-O 122.874 1.321 . . . . 0.57 108.011 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 78' ' ' LYS . 33.7 mp0 -128.36 174.37 9.38 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 125.146 2.403 . . . . 0.91 108.034 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.5 p 84.91 -45.84 0.08 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 113.768 -1.56 . . . . 0.57 114.469 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -78.47 83.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.771 0 CA-C-O 125.603 2.621 . . . . 0.57 107.266 -161.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.19 23.33 35.02 Favored Glycine 0 C--N 1.383 3.173 0 CA-C-N 112.037 -2.347 . . . . 0.57 113.456 -171.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.87 19.13 78.06 Favored Glycine 0 C--N 1.381 3.053 0 C-N-CA 119.504 -1.332 . . . . 0.57 115.811 159.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.76 171.29 7.5 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-O 122.791 1.281 . . . . 0.57 108.274 172.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 5.9 tmtm? -125.97 96.07 4.62 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 102.95 -2.982 . . . . 0.57 102.95 169.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -101.14 155.26 18.11 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.666 1.222 . . . . 0.57 109.457 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -98.11 162.7 13.08 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-O 122.972 1.368 . . . . 0.57 107.555 148.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.47 142.63 28.29 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-N 113.707 -1.588 . . . . 0.57 107.976 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.85 142.69 33.39 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 107.299 -1.371 . . . . 0.57 107.299 167.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -137.54 130.24 42.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 CA-C-O 124.253 1.978 . . . . 0.57 105.888 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -153.51 165.8 34.72 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 124.241 1.972 . . . . 0.57 109.233 -153.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 ttt -114.29 119.74 38.03 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 103.785 -2.672 . . . . 0.57 103.785 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.68 -176.47 6.08 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 104.108 -2.553 . . . . 0.91 104.108 162.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.86 88.44 0.38 Allowed Glycine 0 C--N 1.377 2.814 0 O-C-N 120.145 -1.597 . . . . 0.57 113.08 -164.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.74 17.34 Favored Glycine 0 C--N 1.377 2.849 0 CA-C-N 114.049 -1.076 . . . . 0.57 115.128 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -99.19 147.28 25.28 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 122.122 0.963 . . . . 0.57 109.219 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.8 t -80.46 161.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.48 0 N-CA-C 106.627 -1.62 . . . . 0.57 106.627 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.9 p -160.26 140.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.525 1.631 . . . . 0.57 111.702 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.5 t -108.73 140.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 N-CA-C 106.256 -1.757 . . . . 0.57 106.256 162.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -141.69 130.53 22.99 Favored 'General case' 0 C--N 1.373 1.626 0 N-CA-C 106.741 -1.578 . . . . 0.57 106.741 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.2 p -159.13 175.39 3.27 Favored Pre-proline 0 C--N 1.372 1.552 0 CA-C-O 121.651 0.738 . . . . 0.57 110.371 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -64.04 116.75 3.89 Favored 'Trans proline' 0 C--N 1.381 2.284 0 CA-C-O 123.674 1.448 . . . . 0.57 111.768 -174.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 72.87 35.52 1.0 Allowed 'General case' 0 C--N 1.385 2.116 0 CA-C-N 113.607 -1.633 . . . . 0.57 111.073 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -167.09 119.79 0.95 Allowed 'General case' 0 C--N 1.39 2.331 0 CA-C-O 122.668 1.223 . . . . 0.57 111.681 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -120.4 148.25 44.02 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.117 -2.179 . . . . 0.57 105.117 167.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.501 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 22.3 t60 -155.3 92.12 1.39 Allowed 'General case' 0 C--N 1.376 1.737 0 N-CA-C 107.424 -1.324 . . . . 0.57 107.424 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.7 p -80.6 164.34 22.98 Favored 'General case' 0 C--N 1.373 1.607 0 CA-C-O 123.475 1.607 . . . . 0.57 110.17 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -152.2 88.05 1.36 Allowed 'General case' 0 C--N 1.376 1.724 0 CA-C-N 113.233 -1.803 . . . . 0.57 106.26 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 7.3 tp10 -97.2 159.64 14.8 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.314 1.846 . . . . 0.91 109.964 -174.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 mm -107.62 139.01 31.05 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 123.609 1.671 . . . . 0.57 109.411 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.7 p -151.15 149.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.926 0 N-CA-C 107.056 -1.461 . . . . 0.57 107.056 163.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . 0.387 1.0 OUTLIER 57.79 14.02 2.3 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 116.624 2.083 . . . . 0.91 116.624 175.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.33 -11.0 59.69 Favored Glycine 0 C--N 1.386 3.323 0 CA-C-N 114.238 -1.346 . . . . 0.57 115.206 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -82.28 166.12 19.81 Favored 'General case' 0 C--N 1.372 1.551 0 CA-C-O 123.569 1.652 . . . . 0.57 110.979 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.29 141.23 28.67 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-N 112.619 -2.082 . . . . 0.57 107.16 166.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.3 t -117.24 121.35 67.47 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 N-CA-C 104.009 -2.589 . . . . 0.57 104.009 161.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.501 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 45.1 mt-10 -100.33 151.88 20.98 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 118.474 -1.29 . . . . 0.91 108.136 165.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.8 t -134.57 112.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 N-CA-C 105.544 -2.021 . . . . 0.57 105.544 163.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 m -93.08 151.44 19.86 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.602 -1.181 . . . . 0.57 109.184 166.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 m -147.07 123.35 10.91 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 105.33 -2.1 . . . . 0.57 105.33 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.87 -178.7 2.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.487 0 N-CA-C 106.026 -1.842 . . . . 0.57 106.026 -175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.75 97.24 0.24 Allowed Glycine 0 C--N 1.375 2.733 0 CA-C-O 123.793 1.774 . . . . 0.57 112.394 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.06 4.26 72.07 Favored Glycine 0 C--N 1.378 2.9 0 CA-C-N 112.925 -1.638 . . . . 0.57 117.105 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 83.8 t -141.83 150.95 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 106.752 -1.573 . . . . 0.57 106.752 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.8 m -121.89 163.29 19.49 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 122.427 1.108 . . . . 0.57 108.848 160.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -152.68 98.56 2.36 Favored 'General case' 0 C--N 1.367 1.326 0 N-CA-C 105.909 -1.885 . . . . 0.57 105.909 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 154.35 19.89 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 124.903 2.287 . . . . 0.91 110.889 170.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.404 ' NH1' ' OE2' ' A' ' 11' ' ' GLU . 13.8 ttm-85 -140.06 144.87 37.08 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 110.928 -2.851 . . . . 1.2 104.423 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.51 120.31 57.44 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 N-CA-C 105.99 -1.855 . . . . 0.57 105.99 168.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.0 m -122.02 113.01 18.96 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 114.814 -1.085 . . . . 0.57 108.211 -174.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -80.01 137.92 36.93 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 122.741 1.258 . . . . 0.57 112.096 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -91.69 123.45 35.09 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.429 -1.693 . . . . 0.57 106.429 165.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 23.62 0.45 Allowed 'General case' 0 C--N 1.375 1.676 0 CA-C-O 123.323 1.535 . . . . 0.57 112.039 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.379 1.851 0 CA-C-O 126.404 3.002 . . . . 0.66 108.197 176.714 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 CA--C 1.547 0.865 0 CA-C-O 124.354 2.026 . . . . 0.57 110.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 t -151.8 170.98 18.46 Favored 'General case' 0 C--N 1.381 1.978 0 CA-C-O 122.732 1.253 . . . . 0.57 109.209 159.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.48 -177.16 30.3 Favored Glycine 0 C--N 1.375 2.709 0 CA-C-O 123.877 1.821 . . . . 0.57 114.812 -162.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' NZ ' ' OE1' ' A' ' 39' ' ' GLU . 15.2 mttp -72.63 167.57 20.47 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 118.542 -2.74 . . . . 0.57 104.858 -29.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -128.39 160.7 31.41 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 105.345 -2.095 . . . . 0.57 105.345 159.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.458 ' OE1' ' NZ ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -145.02 144.43 31.0 Favored 'General case' 0 C--N 1.365 1.271 0 N-CA-C 104.796 -2.298 . . . . 0.91 104.796 -172.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.47 130.71 35.95 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 CA-C-O 124.558 2.123 . . . . 0.57 110.611 -169.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.483 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 32.2 tt0 -89.65 -44.08 10.3 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-N 112.738 -2.028 . . . . 0.91 107.057 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -173.41 154.6 2.64 Favored 'General case' 0 C--N 1.38 1.905 0 CA-C-O 122.439 1.114 . . . . 0.57 110.51 170.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -123.45 122.48 38.35 Favored 'General case' 0 C--N 1.376 1.73 0 N-CA-C 104.743 -2.317 . . . . 0.91 104.743 169.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -2.07 26.77 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 114.761 1.393 . . . . 0.57 114.761 -165.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.13 24.19 0.83 Allowed 'General case' 0 C--N 1.384 2.068 0 CA-C-O 123.348 1.547 . . . . 0.57 112.162 -167.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -66.28 -40.79 90.3 Favored 'General case' 0 C--N 1.38 1.923 0 CA-C-O 122.89 1.328 . . . . 0.57 109.736 -169.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.53 -45.77 74.74 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 123.207 1.48 . . . . 0.91 108.104 -166.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -38.49 91.21 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-N 113.241 -1.799 . . . . 0.91 109.909 -176.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -69.19 -39.04 78.91 Favored 'General case' 0 C--N 1.379 1.852 0 CA-C-O 123.22 1.486 . . . . 0.57 109.303 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 77.3 mmm -69.08 -25.43 64.43 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 121.067 -1.021 . . . . 0.57 111.697 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.68 -30.01 67.58 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-O 121.566 0.698 . . . . 0.57 110.655 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -73.01 -35.02 66.72 Favored 'General case' 0 C--N 1.381 1.954 0 CA-C-O 121.872 0.844 . . . . 1.2 111.906 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 74' ' ' ILE . 41.2 mt -76.58 -15.57 59.82 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 115.77 -0.65 . . . . 0.57 111.699 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.651 0 C-N-CA 126.909 2.084 . . . . 0.57 113.532 172.174 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 123.142 1.449 . . . . 0.57 107.829 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' OD2' ' NH1' ' A' ' 32' ' ' ARG . 1.6 m-20 -71.49 -16.87 62.37 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 114.956 -1.02 . . . . 0.91 110.401 -168.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -96.82 31.44 2.35 Favored 'General case' 0 C--N 1.378 1.834 0 CA-C-O 123.069 1.414 . . . . 0.57 111.885 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.49 -1.54 0.27 Allowed 'General case' 0 C--N 1.381 1.938 0 CA-C-N 114.927 -1.033 . . . . 0.57 113.714 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.471 ' NH1' ' OD2' ' A' ' 29' ' ' ASP . 37.0 mtt85 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-O 123.34 1.543 . . . . 1.2 109.668 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 68.68 19.05 8.65 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.755 -1.566 . . . . 0.57 112.634 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -91.35 155.86 18.19 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 123.705 1.717 . . . . 0.57 107.86 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' NZ ' ' OE1' ' A' ' 7' ' ' GLU . 15.0 mttm -96.29 103.98 15.92 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.275 -2.12 . . . . 0.57 105.275 165.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.32 109.87 13.43 Favored 'Isoleucine or valine' 0 C--N 1.376 1.721 0 N-CA-C 105.083 -2.191 . . . . 0.57 105.083 170.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.05 145.25 9.76 Favored 'Isoleucine or valine' 0 C--N 1.379 1.855 0 N-CA-C 104.607 -2.368 . . . . 0.57 104.607 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -124.0 150.02 45.35 Favored 'General case' 0 C--N 1.374 1.635 0 CA-C-O 123.268 1.509 . . . . 0.57 110.818 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' OE1' ' NZ ' ' A' ' 5' ' ' LYS . 6.5 mm-40 -142.39 103.54 4.28 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 104.243 -2.503 . . . . 0.91 104.243 -165.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.53 158.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 105.841 -1.911 . . . . 0.57 105.841 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 0.9 OUTLIER -161.25 121.19 2.64 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 106.13 -1.804 . . . . 0.57 106.13 165.338 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -85.12 130.55 34.59 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.413 -1.699 . . . . 0.57 106.413 169.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 41.8 m-20 -89.07 -36.21 15.89 Favored 'General case' 0 C--N 1.379 1.879 0 CA-C-O 123.474 1.607 . . . . 0.91 108.247 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.23 -95.13 0.1 OUTLIER Glycine 0 C--N 1.385 3.251 0 N-CA-C 106.37 -2.692 . . . . 0.57 106.37 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -94.8 -6.63 42.49 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 122.622 1.201 . . . . 0.57 110.646 162.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.45 157.16 16.14 Favored 'General case' 0 C--N 1.38 1.905 0 N-CA-C 106.407 -1.701 . . . . 0.57 106.407 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -139.05 145.78 40.0 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-O 123.677 1.703 . . . . 0.57 109.196 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 142.07 47.18 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 106.443 -1.688 . . . . 0.57 106.443 164.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -149.69 130.59 14.27 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 107.505 -1.294 . . . . 0.57 107.505 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m -148.19 154.32 39.95 Favored 'General case' 0 C--N 1.373 1.622 0 CA-C-O 123.722 1.725 . . . . 0.57 109.109 -175.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -139.07 149.42 44.56 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.468 -1.242 . . . . 0.57 108.266 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -105.35 129.69 53.63 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 122.478 1.133 . . . . 0.57 108.909 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -100.91 130.49 25.07 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 102.739 -3.06 . . . . 0.57 102.739 162.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.79 89.55 1.29 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 121.623 1.549 . . . . 0.57 108.865 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.64 32.93 0.27 Allowed Glycine 0 C--N 1.383 3.183 0 CA-C-N 113.445 -1.707 . . . . 0.57 115.238 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.26 34.3 14.82 Favored Glycine 0 C--N 1.383 3.15 0 C-N-CA 119.633 -1.27 . . . . 0.57 114.08 155.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -141.42 52.74 1.54 Allowed 'General case' 0 C--N 1.374 1.655 0 CA-C-O 123.272 1.511 . . . . 0.57 107.115 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 p -69.97 145.75 51.62 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-N 113.248 -1.796 . . . . 0.57 109.735 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.406 HG23 HG21 ' A' ' 73' ' ' THR . 24.6 mm -96.09 149.86 4.55 Favored 'Isoleucine or valine' 0 C--N 1.377 1.793 0 N-CA-C 105.1 -2.185 . . . . 0.57 105.1 175.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -155.66 144.16 20.26 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.964 -1.495 . . . . 0.57 106.964 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 143.34 14.84 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.753 -1.573 . . . . 0.57 106.753 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.4 m -116.33 143.25 45.79 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 105.317 -2.105 . . . . 0.57 105.317 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -157.67 155.6 30.29 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-O 123.353 1.549 . . . . 0.57 110.084 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -108.96 141.24 41.33 Favored 'General case' 0 C--N 1.374 1.646 0 N-CA-C 107.056 -1.461 . . . . 0.57 107.056 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.9 mm -83.03 142.23 13.84 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 CA-C-O 122.808 1.289 . . . . 0.57 109.285 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.69 31.56 Favored Glycine 0 C--N 1.377 2.831 0 CA-C-N 113.499 -1.682 . . . . 0.57 114.908 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -156.08 -160.68 1.03 Allowed 'General case' 0 C--N 1.376 1.73 0 CA-C-O 122.632 1.206 . . . . 0.57 109.165 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 169.14 18.76 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-O 123.274 1.511 . . . . 0.91 109.373 166.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -149.24 166.39 29.04 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 104.745 -2.317 . . . . 0.57 104.745 148.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.418 ' OD1' ' NZ ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -88.44 136.59 32.91 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 106.487 -1.671 . . . . 0.91 106.487 167.047 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.9 mm -143.32 145.2 22.82 Favored 'Isoleucine or valine' 0 C--N 1.377 1.787 0 N-CA-C 107.839 -1.171 . . . . 0.57 107.839 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 73' ' ' THR . 0.9 OUTLIER -169.07 154.67 6.18 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 107.709 -1.219 . . . . 0.91 107.709 174.776 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.416 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 15.3 t -173.71 24.49 0.01 OUTLIER 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.289 -1.323 . . . . 0.57 113.828 136.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.499 ' O ' HG22 ' A' ' 74' ' ' ILE . 31.3 mm -136.5 51.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.8 0 CA-C-O 123.823 1.773 . . . . 0.57 110.579 -175.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.6 51.08 1.06 Allowed Glycine 0 C--N 1.38 2.983 0 N-CA-C 117.657 1.823 . . . . 0.57 117.657 149.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.01 4.04 78.89 Favored Glycine 0 C--N 1.371 2.509 0 CA-C-O 122.615 1.119 . . . . 0.57 114.906 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 62.66 6.09 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-O 123.874 1.797 . . . . 0.57 107.765 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 76.82 10.0 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.041 -1.89 . . . . 0.57 107.465 -175.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -76.56 147.83 37.43 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 113.772 -1.558 . . . . 0.57 109.429 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 20.7 ttmm -86.19 129.49 34.83 Favored 'General case' 0 C--N 1.385 2.134 0 N-CA-C 103.694 -2.706 . . . . 0.57 103.694 145.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.71 158.21 39.23 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 114.365 -1.289 . . . . 0.57 108.291 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -88.23 145.99 25.59 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 114.564 -1.198 . . . . 0.57 108.22 172.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 p -149.28 129.86 4.45 Favored 'Isoleucine or valine' 0 C--N 1.376 1.741 0 CA-C-O 124.657 2.17 . . . . 0.57 108.459 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -163.57 164.0 24.35 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.951 -1.477 . . . . 0.57 108.869 -146.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.76 95.27 5.45 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 105.923 -1.881 . . . . 0.57 105.923 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -79.63 53.01 1.51 Allowed 'General case' 0 C--N 1.38 1.926 0 CA-C-O 123.351 1.548 . . . . 0.91 110.96 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.64 54.67 3.87 Favored Glycine 0 C--N 1.39 3.552 0 C-N-CA 118.898 -1.62 . . . . 0.57 114.156 157.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.31 -6.43 59.5 Favored Glycine 0 C--N 1.38 2.982 0 CA-C-O 123.032 1.351 . . . . 0.57 112.403 -173.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.51 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 35.8 mttm -119.03 135.53 54.58 Favored 'General case' 0 C--N 1.369 1.444 0 N-CA-C 105.654 -1.98 . . . . 0.57 105.654 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.07 156.64 4.52 Favored 'Isoleucine or valine' 0 C--N 1.367 1.368 0 N-CA-C 105.14 -2.17 . . . . 0.57 105.14 158.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -154.37 143.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 122.703 1.24 . . . . 0.57 110.791 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.49 137.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.382 1.989 0 N-CA-C 106.14 -1.8 . . . . 0.57 106.14 156.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -132.1 143.73 50.22 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-O 122.881 1.324 . . . . 0.57 108.42 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.25 169.8 9.88 Favored Pre-proline 0 C--N 1.372 1.573 0 N-CA-C 106.006 -1.849 . . . . 0.57 106.006 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.99 -27.88 85.88 Favored 'Trans proline' 0 C--N 1.382 2.329 0 N-CA-C 118.66 2.523 . . . . 0.57 118.66 -155.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -139.19 40.18 2.1 Favored 'General case' 0 C--N 1.373 1.599 0 CA-C-O 123.888 1.804 . . . . 0.57 110.228 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -156.85 96.6 1.63 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-N 112.814 -1.994 . . . . 0.57 107.773 -169.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.53 145.93 28.36 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.71 -1.959 . . . . 0.57 105.71 172.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.477 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 19.5 t60 -154.82 90.68 1.32 Allowed 'General case' 0 C--N 1.378 1.844 0 C-N-CA 119.725 -0.79 . . . . 0.57 108.892 -175.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.7 p -86.66 159.28 19.24 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 123.052 1.406 . . . . 0.57 111.134 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.96 129.56 18.04 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 113.727 -1.579 . . . . 0.57 106.871 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.51 ' OE1' ' NZ ' ' A' ' 89' ' ' LYS . 9.1 pt-20 -158.72 153.11 24.16 Favored 'General case' 0 C--N 1.373 1.605 0 CA-C-O 123.573 1.654 . . . . 0.91 111.431 -157.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.37 137.82 38.16 Favored 'Isoleucine or valine' 0 C--N 1.373 1.61 0 CA-C-N 114.421 -1.263 . . . . 0.57 108.813 -167.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . 0.28 20.2 t -124.24 -119.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.908 0 N-CA-C 106.442 -1.688 . . . . 0.57 106.442 170.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.483 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 13.0 p-10 -78.56 40.75 0.38 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 125.313 2.482 . . . . 0.91 111.404 -176.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 67.56 16.92 68.23 Favored Glycine 0 C--N 1.378 2.902 0 O-C-N 120.097 -1.627 . . . . 0.57 110.336 -169.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.483 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 47.4 mttm -74.22 140.64 45.2 Favored 'General case' 0 C--N 1.393 2.495 0 N-CA-C 104.993 -2.225 . . . . 0.57 104.993 146.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.03 102.73 14.56 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 101.184 -3.636 . . . . 0.57 101.184 155.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.6 151.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.372 1.554 0 N-CA-C 105.21 -2.144 . . . . 0.57 105.21 170.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.477 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 37.2 tt0 -147.53 142.0 26.44 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 105.841 -1.911 . . . . 0.91 105.841 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.3 t -140.27 104.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.632 0 N-CA-C 106.46 -1.682 . . . . 0.57 106.46 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.29 153.95 29.49 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 123.492 1.615 . . . . 0.57 107.508 159.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 15.6 m -153.83 107.42 2.97 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 105.77 -1.937 . . . . 0.57 105.77 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.3 159.16 2.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 CA-C-N 112.309 -2.223 . . . . 0.57 105.311 170.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.88 91.68 0.35 Allowed Glycine 0 C--N 1.373 2.622 0 N-CA-C 108.947 -1.661 . . . . 0.57 108.947 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.92 9.07 7.68 Favored Glycine 0 C--N 1.379 2.965 0 N-CA-C 116.692 1.437 . . . . 0.57 116.692 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -169.25 148.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.806 0 CA-C-O 122.547 1.165 . . . . 0.57 110.766 158.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 p -87.97 161.7 17.27 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.627 1.679 . . . . 0.57 109.273 164.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -152.68 86.37 1.26 Allowed 'General case' 0 C--N 1.373 1.625 0 N-CA-C 105.718 -1.956 . . . . 0.57 105.718 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -86.13 147.81 25.98 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 111.596 -2.547 . . . . 0.91 107.384 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -152.23 132.22 13.4 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 112.029 -2.351 . . . . 1.2 105.745 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.26 117.54 53.79 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 106.344 -1.724 . . . . 0.57 106.344 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.1 m -110.13 156.28 20.8 Favored 'General case' 0 C--N 1.377 1.782 0 CA-C-N 114.435 -1.257 . . . . 0.57 108.008 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.483 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 1.8 tmtm? -131.39 153.5 49.6 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 123.443 1.592 . . . . 0.57 107.32 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -84.21 70.03 10.51 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 124.074 1.892 . . . . 0.57 108.508 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.34 73.61 10.45 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 103.37 -2.826 . . . . 0.57 103.37 168.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.569 0 CA-C-N 111.766 -2.47 . . . . 0.66 112.316 -164.244 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 120.781 0.324 . . . . 1.0 111.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -74.67 160.72 30.44 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.516 1.627 . . . . 1.0 110.31 -175.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.49 14.94 Favored Glycine 0 C--N 1.372 2.529 0 CA-C-N 114.29 -1.323 . . . . 1.0 110.495 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.523 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.9 tttp -99.47 116.73 32.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 105.688 -1.967 . . . . 1.0 105.688 171.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -98.03 150.13 21.72 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 114.073 -1.421 . . . . 1.0 109.151 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.513 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 5.8 tt0 -107.7 152.87 23.74 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 113.166 -1.833 . . . . 1.0 106.157 159.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.91 130.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 N-CA-C 105.145 -2.169 . . . . 1.0 105.145 168.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.484 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 23.2 tt0 -82.23 -48.36 11.35 Favored 'General case' 0 C--N 1.376 1.747 0 N-CA-C 107.029 -1.471 . . . . 1.0 107.029 176.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -170.66 154.15 4.37 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-O 121.707 0.765 . . . . 1.0 109.378 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.35 153.24 42.11 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 105.741 -1.948 . . . . 1.0 105.741 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 120' ' ' GLU . 32.4 ttmt -98.68 -47.88 5.17 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 119.218 -0.993 . . . . 1.0 110.307 -177.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -125.47 37.97 4.27 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 124.496 2.093 . . . . 1.0 111.266 -155.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.08 -43.32 87.69 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 112.818 -1.992 . . . . 1.0 109.761 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.411 ' OD2' ' NE ' ' A' ' 32' ' ' ARG . 15.1 t70 -65.77 -51.92 55.16 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 122.449 1.119 . . . . 1.0 108.215 -165.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.3 -21.39 62.08 Favored 'General case' 0 C--N 1.382 2.009 0 CA-C-N 114.813 -1.085 . . . . 1.0 113.063 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 122.314 1.054 . . . . 1.0 108.502 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.4 mmm -66.0 -23.79 66.64 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 121.915 0.864 . . . . 1.0 110.23 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-O 122.91 1.338 . . . . 1.0 108.871 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -73.02 -15.07 61.53 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 122.329 1.062 . . . . 1.0 112.971 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 -5.27 59.2 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-N 115.358 -0.837 . . . . 1.0 112.873 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.629 0 CA-C-O 123.662 1.696 . . . . 1.0 110.252 169.773 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 CA--C 1.543 0.706 0 CA-C-O 121.688 0.756 . . . . 1.0 109.066 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.29 4.0 p30 -76.79 -9.97 59.05 Favored 'General case' 0 C--N 1.374 1.632 0 N-CA-C 115.078 1.51 . . . . 1.0 115.078 -167.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.41 -9.44 59.6 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 118.847 -1.141 . . . . 1.0 111.127 170.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.86 36.81 3.07 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 123.026 1.393 . . . . 1.0 112.719 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' NE ' ' OD2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -74.6 82.17 2.02 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 123.522 1.629 . . . . 1.0 109.21 171.881 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 88.98 29.8 0.02 OUTLIER 'General case' 0 C--N 1.379 1.887 0 CA-C-N 112.976 -1.92 . . . . 1.0 113.498 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -91.75 155.29 18.37 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 123.814 1.769 . . . . 1.0 110.878 164.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 7.6 mtpm? -88.74 107.17 18.81 Favored 'General case' 0 C--N 1.378 1.84 0 N-CA-C 104.183 -2.525 . . . . 1.0 104.183 168.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.17 146.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-O 123.61 1.671 . . . . 1.0 107.117 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.65 158.66 4.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 N-CA-C 106.068 -1.826 . . . . 1.0 106.068 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 141.07 25.08 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 121.439 -0.788 . . . . 1.0 109.656 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.523 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 5.2 mp0 -102.36 149.37 24.42 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 107.638 -1.245 . . . . 1.0 107.638 157.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -136.19 141.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 106.304 -1.739 . . . . 1.0 106.304 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 26.7 ttpp -141.06 142.09 34.2 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 106.546 -1.65 . . . . 1.0 106.546 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -112.88 98.19 7.03 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.6 m-20 -87.01 67.11 9.69 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-O 124.49 2.09 . . . . 1.0 106.237 -176.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.0 -111.86 4.06 Favored Glycine 0 C--N 1.381 3.059 0 CA-C-N 113.804 -1.543 . . . . 1.0 110.039 -170.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -95.15 -14.05 24.49 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.569 -1.316 . . . . 1.0 112.32 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -81.11 155.57 26.2 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 107.112 -1.44 . . . . 1.0 107.112 166.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -131.75 126.0 33.37 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 105.498 -2.038 . . . . 1.0 105.498 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.5 m -96.15 143.58 27.15 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 106.221 -1.77 . . . . 1.0 106.221 164.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -149.29 110.77 4.47 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 107.025 -1.472 . . . . 1.0 107.025 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 30.9 t -103.06 144.6 31.08 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 122.186 0.994 . . . . 1.0 109.317 171.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.94 149.72 38.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 106.725 -1.583 . . . . 1.0 106.725 162.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -139.77 132.31 28.7 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.205 1.479 . . . . 1.0 108.141 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.83 134.03 31.19 Favored Pre-proline 0 C--N 1.375 1.684 0 N-CA-C 103.927 -2.62 . . . . 1.0 103.927 169.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -80.73 76.21 4.64 Favored 'Trans proline' 0 C--N 1.371 1.736 0 CA-C-O 124.386 1.744 . . . . 1.0 107.787 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -175.83 -69.82 0.05 OUTLIER Glycine 0 C--N 1.38 2.979 0 CA-C-N 113.327 -1.76 . . . . 1.0 110.91 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.76 17.13 0.04 OUTLIER Glycine 0 C--N 1.39 3.572 0 C-N-CA 116.784 -2.627 . . . . 1.0 117.851 -168.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -134.59 161.51 34.89 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 107.003 -1.48 . . . . 1.0 107.003 165.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -162.18 151.32 15.58 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 106.763 -1.569 . . . . 1.0 106.763 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.9 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 N-CA-C 104.235 -2.505 . . . . 1.0 104.235 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 50' ' ' SER . 1.6 t -142.55 164.06 31.14 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 108.636 -0.875 . . . . 1.0 108.636 160.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.37 149.34 17.13 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 m -110.8 144.4 39.86 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.306 -1.738 . . . . 1.0 106.306 165.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -151.27 165.18 34.78 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-O 122.321 1.057 . . . . 1.0 108.473 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -118.71 139.73 51.07 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-O 122.464 1.126 . . . . 1.0 109.445 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.1 mm -78.06 139.0 19.26 Favored 'Isoleucine or valine' 0 C--N 1.377 1.768 0 N-CA-C 107.324 -1.362 . . . . 1.0 107.324 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.75 47.38 Favored Glycine 0 C--N 1.378 2.915 0 CA-C-N 115.224 -0.898 . . . . 1.0 113.543 173.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.562 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.3 tttm -154.18 169.07 24.47 Favored 'General case' 0 C--N 1.373 1.598 0 CA-C-O 122.933 1.349 . . . . 1.0 107.874 -174.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -83.37 168.14 16.88 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-O 123.523 1.63 . . . . 1.0 108.545 157.377 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 p -155.11 163.44 40.25 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-N 113.996 -1.457 . . . . 1.0 107.302 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.86 119.41 39.36 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 104.423 -2.436 . . . . 1.0 104.423 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -101.81 145.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.374 1.631 0 N-CA-C 105.356 -2.091 . . . . 1.0 105.356 166.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -140.35 173.09 11.85 Favored 'General case' 0 C--N 1.375 1.691 0 CA-C-O 123.441 1.591 . . . . 1.0 108.35 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.317 4.2 p 84.59 -147.75 0.01 OUTLIER 'General case' 0 C--N 1.376 1.718 0 CA-C-N 113.996 -1.457 . . . . 1.0 109.651 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.263 43.8 mm 55.98 45.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.169 0 CA-C-O 125.254 2.454 . . . . 1.0 109.357 172.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.91 7.96 55.97 Favored Glycine 0 C--N 1.382 3.12 0 CA-C-N 112.831 -1.986 . . . . 1.0 114.287 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.59 27.9 Favored Glycine 0 C--N 1.377 2.847 0 CA-C-O 122.344 0.969 . . . . 1.0 114.623 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 105.99 18.14 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 106.873 -1.528 . . . . 1.0 106.873 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -81.01 114.93 20.22 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 104.987 -2.227 . . . . 1.0 104.987 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.11 124.18 39.99 Favored 'General case' 0 C--N 1.371 1.52 0 N-CA-C 107.322 -1.362 . . . . 1.0 107.322 -177.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -75.98 154.92 35.48 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.653 1.692 . . . . 1.0 109.128 161.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -157.51 149.96 22.81 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-N 112.788 -2.006 . . . . 1.0 108.509 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -106.76 144.44 33.41 Favored 'General case' 0 C--N 1.375 1.69 0 N-CA-C 107.077 -1.453 . . . . 1.0 107.077 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.24 131.52 55.18 Favored 'Isoleucine or valine' 0 C--N 1.374 1.664 0 CA-C-O 123.77 1.748 . . . . 1.0 108.776 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -126.85 170.07 12.59 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 124.028 1.871 . . . . 1.0 108.227 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.4 ttt -132.02 147.74 52.47 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 105.292 -2.114 . . . . 1.0 105.292 170.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.375 0.0 OUTLIER -101.16 -148.8 0.37 Allowed 'General case' 0 C--N 1.374 1.663 0 N-CA-C 107.874 -1.158 . . . . 1.0 107.874 151.443 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.45 -39.15 15.55 Favored Glycine 0 C--N 1.371 2.526 0 C-N-CA 119.59 -1.29 . . . . 1.0 115.366 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.16 -11.31 37.03 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.176 -0.512 . . . . 1.0 114.368 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -144.12 131.73 21.16 Favored 'General case' 0 C--N 1.381 1.95 0 CA-C-O 122.854 1.312 . . . . 1.0 111.117 -156.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -87.84 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.378 1.843 0 N-CA-C 106.229 -1.767 . . . . 1.0 106.229 165.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.04 108.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.666 0 CA-C-O 123.245 1.497 . . . . 1.0 108.547 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.04 148.09 4.88 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 N-CA-C 106.517 -1.66 . . . . 1.0 106.517 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -147.29 151.99 37.54 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.172 -1.788 . . . . 1.0 106.172 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.25 168.55 6.52 Favored Pre-proline 0 C--N 1.367 1.366 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -80.86 3.27 7.91 Favored 'Trans proline' 0 C--N 1.38 2.191 0 N-CA-C 115.418 1.276 . . . . 1.0 115.418 -163.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.34 38.55 0.14 Allowed 'General case' 0 C--N 1.377 1.792 0 CA-C-O 124.653 2.168 . . . . 1.0 108.002 164.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -162.74 148.44 12.29 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-N 113.788 -1.551 . . . . 1.0 108.493 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -151.67 145.26 24.93 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 105.743 -1.947 . . . . 1.0 105.743 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.542 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 42.0 t60 -151.47 156.01 39.73 Favored 'General case' 0 C--N 1.373 1.617 0 N-CA-C 107.32 -1.363 . . . . 1.0 107.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.79 139.46 10.12 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 105.797 -1.927 . . . . 1.0 105.797 -162.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.6 119.29 3.68 Favored 'General case' 0 C--N 1.375 1.717 0 O-C-N 124.049 0.843 . . . . 1.0 110.021 -163.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -139.77 155.92 47.04 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-O 122.696 1.236 . . . . 1.0 113.48 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.5 mm -105.84 137.51 35.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.808 0 CA-C-N 114.193 -1.367 . . . . 1.0 111.186 -171.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -121.82 -115.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.383 2.038 0 N-CA-C 106.013 -1.847 . . . . 1.0 106.013 169.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 10.2 p-10 -79.96 46.86 0.83 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 125.357 2.503 . . . . 1.0 111.621 -173.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.8 3.69 36.41 Favored Glycine 0 C--N 1.38 3.014 0 CA-C-N 114.054 -1.43 . . . . 1.0 111.962 -164.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.484 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 6.3 tppt? -73.58 127.19 32.08 Favored 'General case' 0 C--N 1.374 1.64 0 N-CA-C 103.764 -2.68 . . . . 1.0 103.764 164.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.62 101.12 10.97 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 103.379 -2.823 . . . . 1.0 103.379 169.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.12 144.52 11.17 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 N-CA-C 105.179 -2.156 . . . . 1.0 105.179 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.542 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 2.3 mt-10 -143.57 146.24 33.16 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 122.96 1.362 . . . . 1.0 110.035 -176.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.9 t -143.3 126.54 13.32 Favored 'Isoleucine or valine' 0 C--N 1.38 1.916 0 N-CA-C 106.842 -1.54 . . . . 1.0 106.842 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -108.63 163.82 12.9 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.886 1.803 . . . . 1.0 110.721 166.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.4 m -153.06 111.47 3.68 Favored 'General case' 0 C--N 1.372 1.552 0 N-CA-C 105.76 -1.941 . . . . 1.0 105.76 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.82 175.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.373 1.601 0 N-CA-C 106.07 -1.826 . . . . 1.0 106.07 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.33 89.5 0.27 Allowed Glycine 0 C--N 1.374 2.644 0 CA-C-O 123.057 1.365 . . . . 1.0 110.014 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.64 -8.98 10.79 Favored Glycine 0 C--N 1.379 2.955 0 N-CA-C 117.528 1.771 . . . . 1.0 117.528 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.7 t -145.19 141.1 22.81 Favored 'Isoleucine or valine' 0 C--N 1.375 1.705 0 CA-C-O 122.562 1.173 . . . . 1.0 108.476 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.3 p -98.0 156.82 16.45 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.73 1.253 . . . . 1.0 109.165 162.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -155.06 117.94 4.35 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 106.61 -1.626 . . . . 1.0 106.61 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' A' ' 12' ' ' LYS . 3.9 pm0 -119.81 152.45 37.25 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 124.158 1.933 . . . . 1.0 110.961 -177.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -155.99 164.14 38.84 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-N 112.696 -2.047 . . . . 1.0 111.649 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.32 118.22 52.0 Favored 'Isoleucine or valine' 0 C--N 1.372 1.568 0 CA-C-N 112.722 -2.035 . . . . 1.0 106.546 170.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.0 m -102.04 168.06 9.64 Favored 'General case' 0 C--N 1.377 1.773 0 CA-C-O 123.265 1.507 . . . . 1.0 108.677 163.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 15.5 tppt? -147.21 123.2 10.72 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.65 -1.611 . . . . 1.0 106.65 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -75.96 118.88 19.2 Favored 'General case' 0 C--N 1.378 1.843 0 N-CA-C 105.681 -1.97 . . . . 1.0 105.681 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.5 tp -142.22 7.9 1.8 Allowed 'General case' 0 C--N 1.376 1.725 0 CA-C-O 123.991 1.853 . . . . 1.0 110.888 -170.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.668 0 CA-C-O 127.932 3.73 . . . . 1.0 110.838 -174.53 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 CA--C 1.539 0.526 0 CA-C-O 121.053 0.454 . . . . 1.0 111.25 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -65.29 150.03 48.94 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-O 122.897 1.332 . . . . 1.0 111.9 -159.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -172.15 22.03 Favored Glycine 0 C--N 1.379 2.937 0 CA-C-O 122.912 1.284 . . . . 1.0 114.042 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 49.3 tttp -94.61 145.8 24.57 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.255 -1.473 . . . . 1.0 107.178 173.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.97 166.76 24.04 Favored 'General case' 0 C--N 1.37 1.493 0 CA-C-O 123.998 1.856 . . . . 1.0 109.609 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 3.4 tm-20 -151.84 136.34 16.9 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 113.482 -1.69 . . . . 1.0 108.865 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.6 mt -86.68 135.04 26.01 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-N 113.712 -1.586 . . . . 1.0 110.571 -167.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.76 -51.28 8.82 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-N 113.19 -1.823 . . . . 1.0 109.16 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.3 t -167.73 170.75 10.65 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-O 123.063 1.411 . . . . 1.0 109.827 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -130.69 89.91 2.83 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-N 112.577 -2.102 . . . . 1.0 105.742 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' NZ ' ' OE1' ' A' ' 120' ' ' GLU . 1.3 ptmm? -80.56 43.41 0.66 Allowed 'General case' 0 C--N 1.381 1.949 0 N-CA-C 115.207 1.558 . . . . 1.0 115.207 -166.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -164.21 -81.79 0.03 OUTLIER 'General case' 0 C--N 1.375 1.69 0 N-CA-C 106.436 -1.69 . . . . 1.0 106.436 157.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.3 t80 71.1 -55.32 0.65 Allowed 'General case' 0 C--N 1.375 1.715 0 C-N-CA 125.622 1.569 . . . . 1.0 110.387 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.88 -53.63 17.14 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-O 122.591 1.186 . . . . 1.0 108.357 -163.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -75.46 -5.23 44.0 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-N 115.257 -0.883 . . . . 1.0 113.03 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.08 -51.82 8.55 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 122.5 1.143 . . . . 1.0 108.734 166.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.29 -30.38 69.37 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 122.222 1.011 . . . . 1.0 110.404 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -68.05 -38.78 82.85 Favored 'General case' 0 C--N 1.384 2.074 0 CA-C-O 123.854 1.788 . . . . 1.0 108.431 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -28.12 65.7 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-N 113.11 -1.859 . . . . 1.0 113.21 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -76.97 -17.59 58.78 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.5 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.655 0 C-N-CA 126.013 1.725 . . . . 1.0 112.549 179.244 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt . . . . . 0 CA--C 1.55 0.973 0 N-CA-C 107.164 -1.421 . . . . 1.0 107.164 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -30.81 64.37 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.746 -161.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -77.61 -19.05 56.18 Favored 'General case' 0 C--N 1.377 1.781 0 CA-C-N 115.114 -0.948 . . . . 1.0 112.026 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.92 -29.37 13.35 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 114.892 1.441 . . . . 1.0 114.892 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -76.36 29.05 0.12 Allowed 'General case' 0 C--N 1.382 1.997 0 N-CA-C 117.199 2.296 . . . . 1.0 117.199 -156.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.89 32.99 0.26 Allowed 'General case' 0 C--N 1.37 1.479 0 CA-C-O 123.761 1.743 . . . . 1.0 109.32 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.4 mt -98.27 168.42 10.24 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.515 2.103 . . . . 1.0 112.229 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -139.14 91.17 2.49 Favored 'General case' 0 C--N 1.381 1.961 0 CA-C-N 112.402 -2.181 . . . . 1.0 105.937 -177.564 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.42 149.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 CA-C-N 113.132 -1.849 . . . . 1.0 110.178 -172.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mm -99.77 154.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.385 2.137 0 N-CA-C 106.266 -1.753 . . . . 1.0 106.266 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.9 147.43 27.19 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.552 1.168 . . . . 1.0 113.674 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -117.62 155.3 30.11 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 172.197 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.2 113.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.498 0 CA-C-O 123.223 1.487 . . . . 1.0 107.054 164.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -101.76 141.43 34.64 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-N 113.197 -1.819 . . . . 1.0 106.148 172.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -93.32 145.12 24.69 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 106.366 -1.716 . . . . 1.0 106.366 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -110.09 -34.59 6.35 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-O 122.346 1.069 . . . . 1.0 109.141 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.94 -103.63 0.18 Allowed Glycine 0 C--N 1.378 2.892 0 N-CA-C 107.729 -2.148 . . . . 1.0 107.729 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -80.61 -16.96 52.78 Favored 'General case' 0 C--N 1.381 1.935 0 CA-C-O 123.396 1.57 . . . . 1.0 109.278 162.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -93.41 153.88 18.25 Favored 'General case' 0 C--N 1.372 1.546 0 CA-C-O 122.909 1.338 . . . . 1.0 109.19 177.015 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.52 155.66 42.01 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 113.193 -1.821 . . . . 1.0 106.463 169.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.5 m -123.36 103.15 8.31 Favored 'General case' 0 C--N 1.369 1.429 0 N-CA-C 105.347 -2.094 . . . . 1.0 105.347 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -93.15 145.65 24.25 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.927 -1.942 . . . . 1.0 106.282 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.2 t -147.88 146.11 28.93 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-O 122.43 1.109 . . . . 1.0 108.278 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.65 131.64 45.0 Favored 'General case' 0 C--N 1.371 1.521 0 N-CA-C 106.562 -1.644 . . . . 1.0 106.562 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.61 119.03 34.34 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 106.489 -1.671 . . . . 1.0 106.489 164.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -77.33 151.46 80.94 Favored Pre-proline 0 C--N 1.377 1.775 0 N-CA-C 104.377 -2.453 . . . . 1.0 104.377 166.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -72.25 95.02 0.75 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 CA-C-O 124.542 1.809 . . . . 1.0 110.097 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.24 -55.49 4.94 Favored Glycine 0 C--N 1.381 3.029 0 CA-C-N 112.821 -1.991 . . . . 1.0 113.226 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.52 -9.16 87.26 Favored Glycine 0 C--N 1.382 3.091 0 N-CA-C 117.185 1.634 . . . . 1.0 117.185 -156.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.77 167.25 6.42 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.432 1.587 . . . . 1.0 109.64 176.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.2 p -113.03 161.7 16.74 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 106.68 -1.6 . . . . 1.0 106.68 152.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.9 mt -129.48 142.03 44.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 N-CA-C 102.378 -3.194 . . . . 1.0 102.378 169.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -163.5 148.06 10.83 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.903 -1.748 . . . . 1.0 108.03 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 144.44 20.47 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 107.716 -1.216 . . . . 1.0 107.716 164.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.0 m -84.36 146.89 27.46 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 104.936 -2.246 . . . . 1.0 104.936 160.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -151.97 159.92 43.63 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 108.111 -1.07 . . . . 1.0 108.111 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 5.7 m -132.57 131.77 41.85 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-O 122.555 1.169 . . . . 1.0 111.151 -174.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.81 114.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.772 0 CA-C-N 114.537 -1.211 . . . . 1.0 108.468 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.79 -6.6 57.14 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 114.336 -1.302 . . . . 1.0 115.723 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 24.3 tttm -100.95 161.41 13.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-O 122.882 1.325 . . . . 1.0 108.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -76.9 150.69 35.98 Favored 'General case' 0 C--N 1.385 2.126 0 CA-C-O 123.971 1.843 . . . . 1.0 109.156 154.035 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 74.4 m -136.0 158.34 44.65 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 106.759 -1.571 . . . . 1.0 106.759 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.97 140.11 30.11 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 104.053 -2.573 . . . . 1.0 104.053 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.0 mm -149.87 132.48 6.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.502 0 N-CA-C 106.944 -1.502 . . . . 1.0 106.944 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.19 168.79 21.89 Favored 'General case' 0 C--N 1.374 1.642 0 CA-C-O 123.162 1.458 . . . . 1.0 107.263 149.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.17 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.367 1.352 0 CA-C-N 113.705 -1.589 . . . . 1.0 115.242 171.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.95 -29.43 5.22 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 CA-C-O 121.848 0.832 . . . . 1.0 112.483 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.36 -6.93 4.59 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.381 -0.827 . . . . 1.0 113.818 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.25 -12.34 55.08 Favored Glycine 0 C--N 1.374 2.683 0 N-CA-C 116.826 1.491 . . . . 1.0 116.826 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -86.22 25.99 1.1 Allowed 'General case' 0 C--N 1.374 1.659 0 N-CA-C 116.446 2.017 . . . . 1.0 116.446 -160.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.7 tttp 49.35 72.19 0.32 Allowed 'General case' 0 C--N 1.375 1.691 0 CA-C-N 113.142 -1.844 . . . . 1.0 113.741 163.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 155.61 33.63 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 123.929 1.823 . . . . 1.0 111.296 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 29.5 mmmt -90.79 156.52 17.99 Favored 'General case' 0 C--N 1.385 2.131 0 CA-C-N 113.675 -1.602 . . . . 1.0 106.836 161.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.49 141.73 20.52 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 114.667 -1.151 . . . . 1.0 109.052 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -92.43 114.28 26.79 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 105.775 -1.935 . . . . 1.0 105.775 167.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.9 t -99.1 138.25 24.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 CA-C-O 123.586 1.66 . . . . 1.0 107.012 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -156.99 167.44 30.47 Favored 'General case' 0 C--N 1.374 1.671 0 CA-C-O 124.785 2.231 . . . . 1.0 110.1 -162.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.39 135.15 47.3 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 103.277 -2.86 . . . . 1.0 103.277 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.57 ' OE2' ' NE2' ' A' ' 98' ' ' HIS . 2.6 tt0 -105.18 3.78 30.56 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 122.616 1.198 . . . . 1.0 110.214 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.79 87.17 1.98 Allowed Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.86 1.256 . . . . 1.0 111.38 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.27 70.78 Favored Glycine 0 C--N 1.388 3.465 0 CA-C-N 113.66 -1.27 . . . . 1.0 114.756 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 4.6 ttmp? -173.65 101.84 0.11 Allowed 'General case' 0 C--N 1.374 1.673 0 N-CA-C 102.227 -3.249 . . . . 1.0 102.227 -133.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -81.45 156.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.466 0 N-CA-C 106.927 -1.509 . . . . 1.0 106.927 -175.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.4 p -149.47 139.9 16.49 Favored 'Isoleucine or valine' 0 C--N 1.377 1.798 0 CA-C-O 123.944 1.831 . . . . 1.0 111.801 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -112.35 103.12 14.94 Favored 'Isoleucine or valine' 0 C--N 1.376 1.733 0 N-CA-C 103.726 -2.694 . . . . 1.0 103.726 164.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -94.21 154.93 17.3 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 106.836 -1.542 . . . . 1.0 106.836 171.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.55 170.71 3.53 Favored Pre-proline 0 C--N 1.371 1.528 0 O-C-N 121.253 -0.904 . . . . 1.0 110.036 -167.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -62.21 103.9 0.32 Allowed 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.591 1.413 . . . . 1.0 111.516 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 67.36 32.7 5.72 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 123.558 1.647 . . . . 1.0 111.039 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -162.72 131.31 4.02 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 114.435 -1.257 . . . . 1.0 108.102 -169.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.57 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 8.7 t60 -144.06 135.74 26.04 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 106.196 -1.779 . . . . 1.0 106.196 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -142.7 111.94 6.6 Favored 'General case' 0 C--N 1.374 1.655 0 N-CA-C 107.058 -1.46 . . . . 1.0 107.058 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 p -96.59 161.45 13.89 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-O 123.346 1.546 . . . . 1.0 110.846 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.18 155.27 46.51 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 113.43 -1.714 . . . . 1.0 108.597 161.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 1.1 mm-40 -148.31 156.41 42.5 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 114.705 -1.134 . . . . 1.0 109.369 -168.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.0 mm -120.65 99.39 7.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.658 0 CA-C-O 123.484 1.611 . . . . 1.0 107.948 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -83.46 -161.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.386 2.162 0 N-CA-C 104.711 -2.329 . . . . 1.0 104.711 162.242 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.68 78.33 0.07 Allowed 'General case' 0 C--N 1.378 1.812 0 CA-C-O 124.929 2.3 . . . . 1.0 111.7 -165.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 67.49 3.81 28.09 Favored Glycine 0 C--N 1.386 3.355 0 CA-C-N 113.054 -1.885 . . . . 1.0 115.146 -172.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -92.23 125.93 37.1 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 105.331 -2.1 . . . . 1.0 105.331 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.2 tp -92.16 105.05 17.36 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 105.144 -2.169 . . . . 1.0 105.144 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.37 153.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 CA-C-O 123.212 1.482 . . . . 1.0 108.024 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -132.8 156.58 46.85 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 114.12 -1.4 . . . . 1.0 108.939 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.8 t -141.45 132.53 27.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 171.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 m -108.87 154.49 22.04 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 122.162 0.982 . . . . 1.0 109.356 159.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 94.0 m -144.29 128.62 17.85 Favored 'General case' 0 C--N 1.375 1.699 0 N-CA-C 106.062 -1.829 . . . . 1.0 106.062 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.03 47.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 CA-C-O 125.173 2.416 . . . . 1.0 108.18 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.95 -79.04 1.73 Allowed Glycine 0 C--N 1.379 2.936 0 CA-C-N 113.218 -1.81 . . . . 1.0 110.063 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.75 1.39 63.59 Favored Glycine 0 C--N 1.376 2.775 0 N-CA-C 116.569 1.388 . . . . 1.0 116.569 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.5 t -144.14 148.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.373 1.599 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -112.52 167.35 10.52 Favored 'General case' 0 C--N 1.38 1.919 0 CA-C-O 123.849 1.785 . . . . 1.0 109.676 166.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -158.87 98.23 1.47 Allowed 'General case' 0 C--N 1.373 1.591 0 N-CA-C 105.83 -1.915 . . . . 1.0 105.83 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 12.4 mp0 -97.31 155.6 16.81 Favored 'General case' 0 C--N 1.373 1.611 0 CA-C-O 123.824 1.773 . . . . 1.0 108.82 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -151.48 143.86 24.14 Favored 'General case' 0 C--N 1.375 1.683 0 CA-C-N 113.466 -1.697 . . . . 1.0 107.131 -168.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 42.0 t -127.78 136.57 60.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.84 0 CA-C-O 122.279 1.038 . . . . 1.0 108.28 -174.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.0 166.28 25.08 Favored 'General case' 0 C--N 1.376 1.76 0 CA-C-O 123.259 1.504 . . . . 1.0 109.639 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.48 163.11 33.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-O 122.799 1.285 . . . . 1.0 109.272 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -86.35 138.35 31.88 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-N 114.097 -1.41 . . . . 1.0 110.201 -168.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.9 mt -101.57 49.69 0.86 Allowed 'General case' 0 C--N 1.379 1.855 0 CA-C-O 124.648 2.166 . . . . 1.0 109.51 172.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.526 0 CA-C-O 125.168 2.414 . . . . 1.0 107.797 170.011 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.621 0.6 . . . . 1.0 112.621 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.3 m -62.27 152.9 32.27 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-O 124.481 2.086 . . . . 1.0 111.757 -162.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.55 -178.53 19.28 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 113.737 -1.574 . . . . 1.0 112.831 169.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 42.7 tttp -90.3 149.52 22.31 Favored 'General case' 0 C--N 1.38 1.93 0 N-CA-C 105.829 -1.915 . . . . 1.0 105.829 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -141.36 152.55 44.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 107.917 -1.142 . . . . 1.0 107.917 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.532 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 1.8 tt0 -127.11 161.83 27.53 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 108.067 -1.086 . . . . 1.0 108.067 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.424 HD12 ' HB ' ' A' ' 36' ' ' ILE . 7.9 mt -81.73 134.64 26.63 Favored 'Isoleucine or valine' 0 C--N 1.375 1.685 0 CA-C-O 123.237 1.494 . . . . 1.0 110.606 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -86.49 -51.23 6.32 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-N 113.524 -1.671 . . . . 1.0 109.347 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -164.32 159.19 19.57 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.414 1.102 . . . . 1.0 111.11 -168.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -149.93 168.98 22.25 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 126.7 2.0 . . . . 1.0 107.104 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 120' ' ' GLU . 2.6 ttpm? -141.16 -38.99 0.41 Allowed 'General case' 0 C--N 1.383 2.063 0 CA-C-N 114.56 -1.2 . . . . 1.0 111.657 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -114.07 14.83 18.39 Favored 'General case' 0 C--N 1.382 1.988 0 CA-C-O 122.61 1.195 . . . . 1.0 114.087 -157.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -61.13 -46.45 90.51 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 122.63 1.205 . . . . 1.0 109.795 -166.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.52 -45.14 73.06 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-O 123.216 1.484 . . . . 1.0 107.773 -167.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -65.49 -34.04 77.33 Favored 'General case' 0 C--N 1.385 2.138 0 CA-C-N 114.113 -1.403 . . . . 1.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.05 -45.57 76.98 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-O 122.368 1.08 . . . . 1.0 109.067 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 64.7 mmm -68.64 -26.64 65.43 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.79 0.805 . . . . 1.0 110.618 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 122.307 1.051 . . . . 1.0 110.018 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -70.95 -31.2 67.71 Favored 'General case' 0 C--N 1.384 2.097 0 CA-C-N 115.043 -0.98 . . . . 1.0 112.813 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.5 -30.05 61.66 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.758 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.376 1.721 0 CA-C-O 123.646 1.688 . . . . 1.0 112.607 175.023 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.5 mt . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 108.173 -1.047 . . . . 1.0 108.173 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.496 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 38.6 t70 -62.59 -39.89 95.16 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-O 122.941 1.353 . . . . 1.0 110.05 -166.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 16.95 1.09 Allowed 'General case' 0 C--N 1.378 1.815 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.26 13.13 4.22 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 114.789 1.403 . . . . 1.0 114.789 158.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 29' ' ' ASP . 63.4 mtt180 -73.53 142.16 46.71 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-O 124.881 2.276 . . . . 1.0 111.005 173.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.78 98.02 11.53 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 104.371 -2.455 . . . . 1.0 104.371 -65.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.59 157.41 36.72 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 124.628 2.156 . . . . 1.0 110.423 -171.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.532 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 6.7 mtpm? -79.35 86.42 5.08 Favored 'General case' 0 C--N 1.384 2.079 0 N-CA-C 106.166 -1.79 . . . . 1.0 106.166 172.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.424 ' HB ' HD12 ' A' ' 8' ' ' ILE . 79.1 mt -72.38 137.53 23.34 Favored 'Isoleucine or valine' 0 C--N 1.38 1.896 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.55 148.2 10.3 Favored 'Isoleucine or valine' 0 C--N 1.376 1.753 0 N-CA-C 104.231 -2.507 . . . . 1.0 104.231 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.44 150.33 47.54 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-O 123.025 1.393 . . . . 1.0 111.233 -178.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -124.17 151.03 44.51 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 106.363 -1.718 . . . . 1.0 106.363 176.526 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.64 133.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.371 1.542 0 CA-C-N 113.968 -1.469 . . . . 1.0 108.416 164.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.572 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 44.3 tttm -118.27 142.98 46.93 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 113.721 -1.582 . . . . 1.0 106.865 167.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -94.55 145.75 24.59 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-N 114.569 -1.196 . . . . 1.0 108.272 166.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.572 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 34.4 m-20 -145.5 51.84 1.19 Allowed 'General case' 0 C--N 1.375 1.69 0 CA-C-O 124.415 2.055 . . . . 1.0 106.246 -163.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.98 36.77 56.94 Favored Glycine 0 C--N 1.388 3.471 0 C-N-CA 118.347 -1.882 . . . . 1.0 112.677 163.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 96.62 -19.99 0.05 Allowed 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.22 1.808 . . . . 1.0 111.635 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -79.22 155.69 28.49 Favored 'General case' 0 C--N 1.38 1.917 0 N-CA-C 107.357 -1.349 . . . . 1.0 107.357 156.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.433 ' CE1' HD12 ' A' ' 65' ' ' ILE . 7.5 m-85 -131.86 135.15 46.47 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 104.677 -2.342 . . . . 1.0 104.677 173.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.0 m -113.71 103.82 11.61 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 105.532 -2.025 . . . . 1.0 105.532 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -100.57 157.89 16.33 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 124.271 1.986 . . . . 1.0 108.901 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -157.23 149.4 22.76 Favored 'General case' 0 C--N 1.374 1.633 0 O-C-N 120.26 -1.525 . . . . 1.0 111.427 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -120.78 128.46 52.91 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 104.674 -2.343 . . . . 1.0 104.674 166.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.75 129.56 34.82 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-O 122.442 1.115 . . . . 1.0 108.785 168.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -95.4 126.46 45.82 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 105.729 -1.952 . . . . 1.0 105.729 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -71.73 62.11 3.01 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.027 1.818 . . . . 1.0 114.514 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.12 34.17 0.09 OUTLIER Glycine 0 C--N 1.379 2.955 0 CA-C-O 123.371 1.539 . . . . 1.0 111.006 -168.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.89 23.73 40.73 Favored Glycine 0 C--N 1.385 3.293 0 C-N-CA 119.72 -1.229 . . . . 1.0 114.488 162.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.95 162.99 34.53 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 123.728 1.728 . . . . 1.0 110.566 166.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 p -109.68 159.64 16.97 Favored 'General case' 0 C--N 1.371 1.513 0 CA-C-N 113.598 -1.637 . . . . 1.0 108.076 160.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.85 99.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 N-CA-C 101.891 -3.374 . . . . 1.0 101.891 158.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.8 m -105.01 148.69 26.47 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-N 114.297 -1.32 . . . . 1.0 107.641 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.84 142.79 15.34 Favored 'General case' 0 C--N 1.374 1.645 0 N-CA-C 108.769 -0.826 . . . . 1.0 108.769 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -112.04 144.05 42.03 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 162.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -146.97 155.26 42.12 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-O 122.786 1.279 . . . . 1.0 109.121 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -115.3 120.76 40.72 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 122.871 1.319 . . . . 1.0 107.668 -176.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.433 HD12 ' CE1' ' A' ' 47' ' ' PHE . 3.0 mt -75.28 139.14 19.56 Favored 'Isoleucine or valine' 0 C--N 1.375 1.701 0 CA-C-O 122.966 1.365 . . . . 1.0 110.117 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.59 42.37 Favored Glycine 0 C--N 1.381 3.048 0 CA-C-N 113.998 -1.455 . . . . 1.0 115.666 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.483 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 8.2 ptmm? -152.94 -174.97 5.12 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 122.379 1.085 . . . . 1.0 109.263 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -84.27 154.83 22.74 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 123.359 1.552 . . . . 1.0 109.498 161.335 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.8 m -130.59 157.6 42.27 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 106.329 -1.73 . . . . 1.0 106.329 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.58 149.48 24.91 Favored 'General case' 0 C--N 1.372 1.582 0 N-CA-C 106.022 -1.844 . . . . 1.0 106.022 171.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.4 mm -142.15 144.79 24.69 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 N-CA-C 107.151 -1.426 . . . . 1.0 107.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.94 64.18 0.58 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-O 125.317 2.484 . . . . 1.0 111.593 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.9 p -137.5 169.78 17.2 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-N 113.022 -1.899 . . . . 1.0 110.123 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm 65.87 57.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 CA-C-O 123.859 1.79 . . . . 1.0 108.272 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.25 -25.99 1.4 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 114.063 -1.426 . . . . 1.0 113.254 166.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.74 45.55 6.73 Favored Glycine 0 C--N 1.383 3.165 0 CA-C-O 123.267 1.481 . . . . 1.0 110.078 -165.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -134.99 158.72 43.61 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 107.265 -1.383 . . . . 1.0 107.265 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -94.84 151.9 18.85 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 114.39 -1.277 . . . . 1.0 108.052 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.64 156.14 38.67 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.32 1.534 . . . . 1.0 107.231 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -108.22 158.83 17.11 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 106.727 -1.582 . . . . 1.0 106.727 162.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.77 137.3 21.21 Favored 'General case' 0 C--N 1.371 1.528 0 CA-C-N 115.18 -0.918 . . . . 1.0 109.402 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.69 148.96 22.99 Favored 'General case' 0 C--N 1.378 1.833 0 N-CA-C 107.469 -1.308 . . . . 1.0 107.469 167.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -155.45 137.65 6.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 123.531 1.634 . . . . 1.0 110.232 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -158.05 158.96 35.77 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 123.212 1.482 . . . . 1.0 111.276 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 ttt -95.9 157.76 15.75 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.426 -1.715 . . . . 1.0 107.982 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.339 0.9 OUTLIER -147.42 -149.9 0.31 Allowed 'General case' 0 C--N 1.368 1.388 0 CA-C-N 113.558 -1.656 . . . . 1.0 106.822 172.4 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.61 70.24 1.14 Allowed Glycine 0 C--N 1.363 2.082 0 N-CA-C 117.08 1.592 . . . . 1.0 117.08 -161.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.35 23.43 43.94 Favored Glycine 0 C--N 1.382 3.102 0 CA-C-O 122.759 1.199 . . . . 1.0 112.852 -175.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.26 147.35 26.26 Favored 'General case' 0 C--N 1.378 1.823 0 N-CA-C 107.25 -1.389 . . . . 1.0 107.25 -159.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.5 t -113.05 138.85 41.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.455 0 N-CA-C 106.485 -1.672 . . . . 1.0 106.485 172.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.5 m -117.62 136.79 53.65 Favored 'Isoleucine or valine' 0 C--N 1.379 1.863 0 N-CA-C 107.909 -1.145 . . . . 1.0 107.909 167.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 t -112.31 148.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 N-CA-C 104.138 -2.541 . . . . 1.0 104.138 165.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.01 148.3 32.57 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 105.21 -2.144 . . . . 1.0 105.21 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.4 p -165.4 175.36 2.48 Favored Pre-proline 0 C--N 1.366 1.286 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -174.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -71.37 40.86 0.4 Allowed 'Trans proline' 0 C--N 1.379 2.161 0 N-CA-C 117.838 2.207 . . . . 1.0 117.838 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . 0.268 49.3 p30 161.18 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.379 1.883 0 C-N-CA 125.115 1.366 . . . . 1.0 110.821 158.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -103.09 94.46 5.55 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 106.523 -1.658 . . . . 1.0 106.523 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.58 146.8 26.72 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.273 -1.751 . . . . 1.0 106.273 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -141.78 159.19 42.72 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 123.678 1.704 . . . . 1.0 107.498 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.8 138.59 13.1 Favored 'General case' 0 C--N 1.362 1.126 0 N-CA-C 103.476 -2.787 . . . . 1.0 103.476 -172.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.64 142.52 29.12 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 108.17 -1.048 . . . . 1.0 108.17 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.28 139.19 10.56 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.934 1.349 . . . . 1.0 110.558 -161.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 mm -99.61 124.93 53.27 Favored 'Isoleucine or valine' 0 C--N 1.381 1.969 0 CA-C-N 113.88 -1.509 . . . . 1.0 108.308 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.71 133.87 42.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 104.722 -2.325 . . . . 1.0 104.722 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.546 ' OD1' ' NZ ' ' A' ' 124' ' ' LYS 0.321 1.1 p30 58.98 17.36 5.33 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 124.56 2.124 . . . . 1.0 116.473 172.012 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.28 -2.67 56.25 Favored Glycine 0 C--N 1.385 3.256 0 O-C-N 120.516 -1.365 . . . . 1.0 114.598 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 154.41 41.77 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 106.69 -1.596 . . . . 1.0 106.69 159.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -123.97 96.68 5.04 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 102.45 -3.167 . . . . 1.0 102.45 169.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.32 141.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.375 1.676 0 N-CA-C 105.487 -2.042 . . . . 1.0 105.487 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -119.73 154.15 34.58 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 122.752 1.263 . . . . 1.0 108.563 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.0 107.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.778 0 N-CA-C 105.964 -1.865 . . . . 1.0 105.964 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.69 162.76 17.74 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 124.118 1.914 . . . . 1.0 111.578 158.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 144.68 38.39 Favored 'General case' 0 C--N 1.375 1.704 0 CA-C-N 112.605 -2.089 . . . . 1.0 105.445 166.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.57 48.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 125.795 2.712 . . . . 1.0 107.921 -171.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.72 -94.04 1.41 Allowed Glycine 0 C--N 1.378 2.891 0 CA-C-N 111.928 -2.396 . . . . 1.0 108.434 -175.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.61 12.49 66.14 Favored Glycine 0 C--N 1.377 2.845 0 N-CA-C 116.414 1.325 . . . . 1.0 116.414 -170.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.97 145.25 24.3 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 N-CA-C 107.375 -1.342 . . . . 1.0 107.375 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 163.45 13.69 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-O 122.614 1.197 . . . . 1.0 108.867 165.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -143.04 86.21 1.91 Allowed 'General case' 0 C--N 1.369 1.433 0 N-CA-C 106.518 -1.66 . . . . 1.0 106.518 162.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 12' ' ' LYS . 19.4 pm0 -79.27 146.79 32.81 Favored 'General case' 0 C--N 1.367 1.367 0 CA-C-N 112.124 -2.307 . . . . 1.0 109.93 168.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.73 134.35 10.83 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 112.819 -1.992 . . . . 1.0 106.115 -171.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.66 117.6 54.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.447 0 N-CA-C 106.613 -1.625 . . . . 1.0 106.613 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.41 160.61 22.73 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 122.515 1.15 . . . . 1.0 109.113 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.546 ' NZ ' ' OD1' ' A' ' 105' ' ' ASP . 16.9 tppt? -146.86 142.78 28.02 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-O 123.49 1.614 . . . . 1.0 109.205 -170.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -82.77 80.61 8.81 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.557 1.646 . . . . 1.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.7 mt -83.47 44.62 0.98 Allowed 'General case' 0 C--N 1.371 1.501 0 CA-C-O 125.819 2.724 . . . . 1.0 110.9 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.375 1.711 0 CA-C-N 112.776 -2.011 . . . . 1.0 111.257 169.214 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' H1 ' ' HZ1' ' A' ' 125' ' ' LYS . . . . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.921 -0.77 . . . . 0.57 108.921 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -81.63 -23.97 36.65 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 118.198 -2.814 . . . . 0.57 111.372 -6.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.7 m -69.17 154.57 41.83 Favored 'General case' 0 C--N 1.37 1.496 0 CA-C-O 122.819 1.295 . . . . 0.57 110.583 -167.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.32 177.39 20.06 Favored Glycine 0 C--N 1.38 2.98 0 CA-C-O 123.699 1.721 . . . . 0.57 115.093 168.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.2 tttp -101.68 112.87 25.59 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 104.5 -2.407 . . . . 0.57 104.5 169.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.97 141.3 42.93 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 107.869 -1.16 . . . . 0.57 107.869 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -101.73 160.45 14.45 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 107.308 -1.368 . . . . 0.91 107.308 168.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.44 129.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.375 1.686 0 CA-C-O 123.333 1.54 . . . . 0.57 107.807 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.7 -43.86 16.35 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 107.29 -1.374 . . . . 0.91 107.29 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -176.73 162.56 2.2 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-O 122.715 1.245 . . . . 0.57 111.321 175.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' OE2' ' NH1' ' A' ' 121' ' ' ARG . 61.3 mt-10 -141.81 160.66 39.73 Favored 'General case' 0 C--N 1.378 1.845 0 N-CA-C 106.335 -1.728 . . . . 0.91 106.335 174.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.76 19.69 0.46 Allowed 'General case' 0 C--N 1.385 2.121 0 N-CA-C 115.32 1.6 . . . . 0.57 115.32 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.23 18.43 0.29 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 117.21 -1.796 . . . . 0.57 114.309 -176.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -44.43 65.36 Favored 'General case' 0 C--N 1.381 1.939 0 CA-C-O 123.024 1.393 . . . . 0.57 110.547 -161.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.78 -48.05 83.55 Favored 'General case' 0 C--N 1.379 1.889 0 CA-C-O 122.753 1.263 . . . . 0.91 108.442 -161.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -69.85 -27.13 64.59 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 114.433 -1.258 . . . . 0.91 112.965 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -66.4 -36.68 83.46 Favored 'General case' 0 C--N 1.37 1.484 0 CA-C-O 122.594 1.188 . . . . 0.57 109.586 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.9 mmm -65.53 -30.88 71.69 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.732 1.254 . . . . 0.57 110.029 -171.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -72.3 -30.93 65.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 114.571 -1.195 . . . . 0.57 111.057 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -76.33 -26.77 56.12 Favored 'General case' 0 C--N 1.384 2.093 0 CA-C-O 122.797 1.284 . . . . 1.2 111.552 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.3 mt -78.91 -29.39 44.23 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.872 -1.058 . . . . 0.57 111.728 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 73.49 50.67 0.13 Allowed 'General case' 0 C--N 1.374 1.646 0 CA-C-O 123.27 1.509 . . . . 0.57 110.625 -171.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -92.88 157.49 39.31 Favored Pre-proline 0 C--N 1.386 2.174 0 CA-C-N 114.175 -1.375 . . . . 0.57 110.805 166.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.89 -177.23 3.0 Favored 'Trans proline' 0 C--N 1.382 2.302 0 CA-C-O 125.582 2.242 . . . . 0.57 111.248 -168.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 p -67.01 -39.17 87.03 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 111.862 -2.426 . . . . 0.57 110.223 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.525 ' OD2' ' NE2' ' A' ' 57' ' ' HIS . 20.3 t70 -80.36 48.73 1.05 Allowed 'General case' 0 C--N 1.378 1.807 0 CA-C-O 126.056 2.836 . . . . 0.91 109.738 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.1 -34.5 0.07 Allowed 'General case' 0 C--N 1.373 1.594 0 CA-C-N 112.195 -2.275 . . . . 0.57 109.155 169.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.04 -32.28 15.22 Favored 'Isoleucine or valine' 0 C--N 1.383 2.058 0 CA-C-N 114.109 -1.405 . . . . 0.57 110.392 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 30' ' ' LYS . 31.5 p-10 -69.58 -47.48 63.45 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-O 122.07 0.938 . . . . 0.91 111.089 172.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 29.9 mttp -89.1 3.76 50.71 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 119.374 -0.93 . . . . 0.57 111.721 -159.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.91 5.01 49.45 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 113.819 1.044 . . . . 0.57 113.819 164.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.81 79.09 1.59 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.771 1.748 . . . . 1.2 112.147 -168.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 83.51 36.29 0.04 OUTLIER 'General case' 0 C--N 1.376 1.729 0 CA-C-N 113.067 -1.878 . . . . 0.57 111.272 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 mt -78.28 154.73 30.69 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 124.041 1.877 . . . . 0.57 110.688 167.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -85.82 93.99 9.03 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 104.479 -2.415 . . . . 0.57 104.479 159.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -73.75 152.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 N-CA-C 105.799 -1.926 . . . . 0.57 105.799 171.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.13 120.93 61.76 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 N-CA-C 105.78 -1.933 . . . . 0.57 105.78 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -92.09 114.86 27.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 107.283 -1.377 . . . . 0.57 107.283 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 11.2 mm-40 -94.86 143.68 26.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 105.79 -1.93 . . . . 0.91 105.79 171.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -143.71 93.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 106.236 -1.764 . . . . 0.57 106.236 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 1.4 tmmt? -90.35 122.55 33.33 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 105.188 -2.153 . . . . 0.57 105.188 163.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -96.63 136.73 36.75 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 105.102 -2.184 . . . . 0.57 105.102 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.8 m-20 -100.39 -31.19 11.44 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-O 123.188 1.47 . . . . 0.91 108.306 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.59 -96.05 0.11 Allowed Glycine 0 C--N 1.382 3.133 0 N-CA-C 106.511 -2.636 . . . . 0.57 106.511 168.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -82.28 -19.5 39.4 Favored 'General case' 0 C--N 1.378 1.826 0 CA-C-O 123.121 1.439 . . . . 0.57 109.201 162.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -89.65 157.43 18.02 Favored 'General case' 0 C--N 1.382 2.016 0 N-CA-C 107.091 -1.448 . . . . 0.57 107.091 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -139.62 152.9 47.16 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-N 114.059 -1.428 . . . . 0.57 107.728 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.7 m -132.14 86.73 2.36 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 104.852 -2.277 . . . . 0.57 104.852 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -84.81 156.35 21.39 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 113.063 -1.881 . . . . 0.57 107.446 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -151.49 143.84 24.11 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-N 114.859 -1.064 . . . . 0.57 109.053 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -114.51 98.95 7.2 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 105.413 -2.069 . . . . 0.57 105.413 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -92.34 153.61 19.09 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 124.203 1.954 . . . . 0.57 109.551 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -156.24 93.68 2.46 Favored Pre-proline 0 C--N 1.379 1.854 0 N-CA-C 105.221 -2.14 . . . . 0.57 105.221 -142.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -77.09 64.61 7.82 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-O 124.498 1.791 . . . . 0.57 112.034 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.37 18.7 0.61 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 112.994 -1.912 . . . . 0.57 111.027 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.4 11.09 64.88 Favored Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.541 1.078 . . . . 0.57 114.292 168.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.525 ' NE2' ' OD2' ' A' ' 26' ' ' ASP . 8.9 m-70 -134.62 179.57 6.21 Favored 'General case' 0 C--N 1.373 1.627 0 N-CA-C 105.533 -2.025 . . . . 0.57 105.533 171.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -177.38 162.65 1.92 Allowed 'General case' 0 C--N 1.365 1.281 0 N-CA-C 106.314 -1.736 . . . . 0.57 106.314 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.3 mt -139.2 100.49 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.675 0 N-CA-C 108.409 -0.959 . . . . 0.57 108.409 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.9 m -89.1 158.87 17.8 Favored 'General case' 0 C--N 1.375 1.701 0 CA-C-O 122.353 1.073 . . . . 0.57 108.21 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -159.31 116.9 2.74 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-O 122.031 0.92 . . . . 0.57 108.629 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.0 m -92.0 136.79 32.89 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 106.025 -1.843 . . . . 0.57 106.025 167.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -148.68 169.61 20.01 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-O 123.057 1.408 . . . . 0.57 110.039 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.6 m -131.69 137.78 48.43 Favored 'General case' 0 C--N 1.379 1.88 0 CA-C-N 114.952 -1.022 . . . . 0.57 108.634 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -85.77 141.19 14.83 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 122.759 1.266 . . . . 0.57 109.655 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.55 38.06 15.47 Favored Glycine 0 C--N 1.383 3.157 0 CA-C-N 114.226 -1.352 . . . . 0.57 112.164 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.0 tttm -160.39 166.68 28.88 Favored 'General case' 0 C--N 1.376 1.731 0 N-CA-C 107.106 -1.442 . . . . 0.57 107.106 -170.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -87.26 150.14 24.09 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.444 1.592 . . . . 0.91 109.005 153.226 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -125.53 156.88 38.34 Favored 'General case' 0 C--N 1.37 1.476 0 N-CA-C 106.652 -1.611 . . . . 0.57 106.652 166.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.82 148.4 22.55 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 105.627 -1.99 . . . . 0.91 105.627 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.1 mm -145.33 133.07 16.11 Favored 'Isoleucine or valine' 0 C--N 1.374 1.671 0 CA-C-O 122.874 1.321 . . . . 0.57 108.011 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 78' ' ' LYS . 33.7 mp0 -128.36 174.37 9.38 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 125.146 2.403 . . . . 0.91 108.034 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.5 p 84.91 -45.84 0.08 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 113.768 -1.56 . . . . 0.57 114.469 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -78.47 83.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.771 0 CA-C-O 125.603 2.621 . . . . 0.57 107.266 -161.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.19 23.33 35.02 Favored Glycine 0 C--N 1.383 3.173 0 CA-C-N 112.037 -2.347 . . . . 0.57 113.456 -171.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.87 19.13 78.06 Favored Glycine 0 C--N 1.381 3.053 0 C-N-CA 119.504 -1.332 . . . . 0.57 115.811 159.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.76 171.29 7.5 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-O 122.791 1.281 . . . . 0.57 108.274 172.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 5.9 tmtm? -125.97 96.07 4.62 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 102.95 -2.982 . . . . 0.57 102.95 169.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -101.14 155.26 18.11 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.666 1.222 . . . . 0.57 109.457 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -98.11 162.7 13.08 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-O 122.972 1.368 . . . . 0.57 107.555 148.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.47 142.63 28.29 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-N 113.707 -1.588 . . . . 0.57 107.976 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.85 142.69 33.39 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 107.299 -1.371 . . . . 0.57 107.299 167.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -137.54 130.24 42.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 CA-C-O 124.253 1.978 . . . . 0.57 105.888 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -153.51 165.8 34.72 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 124.241 1.972 . . . . 0.57 109.233 -153.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 ttt -114.29 119.74 38.03 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 103.785 -2.672 . . . . 0.57 103.785 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.68 -176.47 6.08 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 104.108 -2.553 . . . . 0.91 104.108 162.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.86 88.44 0.38 Allowed Glycine 0 C--N 1.377 2.814 0 O-C-N 120.145 -1.597 . . . . 0.57 113.08 -164.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.74 17.34 Favored Glycine 0 C--N 1.377 2.849 0 CA-C-N 114.049 -1.076 . . . . 0.57 115.128 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -99.19 147.28 25.28 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 122.122 0.963 . . . . 0.57 109.219 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.8 t -80.46 161.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.48 0 N-CA-C 106.627 -1.62 . . . . 0.57 106.627 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.9 p -160.26 140.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.525 1.631 . . . . 0.57 111.702 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.5 t -108.73 140.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 N-CA-C 106.256 -1.757 . . . . 0.57 106.256 162.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -141.69 130.53 22.99 Favored 'General case' 0 C--N 1.373 1.626 0 N-CA-C 106.741 -1.578 . . . . 0.57 106.741 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.2 p -159.13 175.39 3.27 Favored Pre-proline 0 C--N 1.372 1.552 0 CA-C-O 121.651 0.738 . . . . 0.57 110.371 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -64.04 116.75 3.89 Favored 'Trans proline' 0 C--N 1.381 2.284 0 CA-C-O 123.674 1.448 . . . . 0.57 111.768 -174.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 72.87 35.52 1.0 Allowed 'General case' 0 C--N 1.385 2.116 0 CA-C-N 113.607 -1.633 . . . . 0.57 111.073 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -167.09 119.79 0.95 Allowed 'General case' 0 C--N 1.39 2.331 0 CA-C-O 122.668 1.223 . . . . 0.57 111.681 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -120.4 148.25 44.02 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.117 -2.179 . . . . 0.57 105.117 167.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.501 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 22.3 t60 -155.3 92.12 1.39 Allowed 'General case' 0 C--N 1.376 1.737 0 N-CA-C 107.424 -1.324 . . . . 0.57 107.424 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.7 p -80.6 164.34 22.98 Favored 'General case' 0 C--N 1.373 1.607 0 CA-C-O 123.475 1.607 . . . . 0.57 110.17 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -152.2 88.05 1.36 Allowed 'General case' 0 C--N 1.376 1.724 0 CA-C-N 113.233 -1.803 . . . . 0.57 106.26 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 7.3 tp10 -97.2 159.64 14.8 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.314 1.846 . . . . 0.91 109.964 -174.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 mm -107.62 139.01 31.05 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 123.609 1.671 . . . . 0.57 109.411 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.7 p -151.15 149.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.926 0 N-CA-C 107.056 -1.461 . . . . 0.57 107.056 163.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . 0.387 1.0 OUTLIER 57.79 14.02 2.3 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 116.624 2.083 . . . . 0.91 116.624 175.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.33 -11.0 59.69 Favored Glycine 0 C--N 1.386 3.323 0 CA-C-N 114.238 -1.346 . . . . 0.57 115.206 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -82.28 166.12 19.81 Favored 'General case' 0 C--N 1.372 1.551 0 CA-C-O 123.569 1.652 . . . . 0.57 110.979 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.29 141.23 28.67 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-N 112.619 -2.082 . . . . 0.57 107.16 166.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.3 t -117.24 121.35 67.47 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 N-CA-C 104.009 -2.589 . . . . 0.57 104.009 161.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.501 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 45.1 mt-10 -100.33 151.88 20.98 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 118.474 -1.29 . . . . 0.91 108.136 165.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.8 t -134.57 112.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 N-CA-C 105.544 -2.021 . . . . 0.57 105.544 163.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 m -93.08 151.44 19.86 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.602 -1.181 . . . . 0.57 109.184 166.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 m -147.07 123.35 10.91 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 105.33 -2.1 . . . . 0.57 105.33 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.87 -178.7 2.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.487 0 N-CA-C 106.026 -1.842 . . . . 0.57 106.026 -175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.75 97.24 0.24 Allowed Glycine 0 C--N 1.375 2.733 0 CA-C-O 123.793 1.774 . . . . 0.57 112.394 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.06 4.26 72.07 Favored Glycine 0 C--N 1.378 2.9 0 CA-C-N 112.925 -1.638 . . . . 0.57 117.105 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 83.8 t -141.83 150.95 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 106.752 -1.573 . . . . 0.57 106.752 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.8 m -121.89 163.29 19.49 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 122.427 1.108 . . . . 0.57 108.848 160.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -152.68 98.56 2.36 Favored 'General case' 0 C--N 1.367 1.326 0 N-CA-C 105.909 -1.885 . . . . 0.57 105.909 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 154.35 19.89 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 124.903 2.287 . . . . 0.91 110.889 170.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.404 ' NH1' ' OE2' ' A' ' 11' ' ' GLU . 13.8 ttm-85 -140.06 144.87 37.08 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 110.928 -2.851 . . . . 1.2 104.423 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.51 120.31 57.44 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 N-CA-C 105.99 -1.855 . . . . 0.57 105.99 168.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.0 m -122.02 113.01 18.96 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 114.814 -1.085 . . . . 0.57 108.211 -174.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -80.01 137.92 36.93 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 122.741 1.258 . . . . 0.57 112.096 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.412 ' HZ1' ' H1 ' ' A' ' 1' ' ' ALA . 4.7 ttpm? -91.69 123.45 35.09 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.429 -1.693 . . . . 0.57 106.429 165.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 23.62 0.45 Allowed 'General case' 0 C--N 1.375 1.676 0 CA-C-O 123.323 1.535 . . . . 0.57 112.039 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.379 1.851 0 CA-C-O 126.404 3.002 . . . . 0.66 108.197 176.714 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 123.48 1.61 . . . . 0.57 109.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -80.95 64.85 5.87 Favored 'General case' 0 C--N 1.371 1.509 0 CA-C-O 124.354 2.026 . . . . 0.57 110.326 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 t -151.8 170.98 18.46 Favored 'General case' 0 C--N 1.381 1.978 0 CA-C-O 122.732 1.253 . . . . 0.57 109.209 159.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.48 -177.16 30.3 Favored Glycine 0 C--N 1.375 2.709 0 CA-C-O 123.877 1.821 . . . . 0.57 114.812 -162.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' NZ ' ' OE1' ' A' ' 39' ' ' GLU . 15.2 mttp -72.63 167.57 20.47 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 118.542 -2.74 . . . . 0.57 104.858 -29.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -128.39 160.7 31.41 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 105.345 -2.095 . . . . 0.57 105.345 159.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.458 ' OE1' ' NZ ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -145.02 144.43 31.0 Favored 'General case' 0 C--N 1.365 1.271 0 N-CA-C 104.796 -2.298 . . . . 0.91 104.796 -172.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.47 130.71 35.95 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 CA-C-O 124.558 2.123 . . . . 0.57 110.611 -169.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.483 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 32.2 tt0 -89.65 -44.08 10.3 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-N 112.738 -2.028 . . . . 0.91 107.057 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -173.41 154.6 2.64 Favored 'General case' 0 C--N 1.38 1.905 0 CA-C-O 122.439 1.114 . . . . 0.57 110.51 170.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -123.45 122.48 38.35 Favored 'General case' 0 C--N 1.376 1.73 0 N-CA-C 104.743 -2.317 . . . . 0.91 104.743 169.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -2.07 26.77 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 114.761 1.393 . . . . 0.57 114.761 -165.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.13 24.19 0.83 Allowed 'General case' 0 C--N 1.384 2.068 0 CA-C-O 123.348 1.547 . . . . 0.57 112.162 -167.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -66.28 -40.79 90.3 Favored 'General case' 0 C--N 1.38 1.923 0 CA-C-O 122.89 1.328 . . . . 0.57 109.736 -169.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' A' ' 19' ' ' LYS . 12.2 t70 -67.53 -45.77 74.74 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 123.207 1.48 . . . . 0.91 108.104 -166.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -38.49 91.21 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-N 113.241 -1.799 . . . . 0.91 109.909 -176.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -69.19 -39.04 78.91 Favored 'General case' 0 C--N 1.379 1.852 0 CA-C-O 123.22 1.486 . . . . 0.57 109.303 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 77.3 mmm -69.08 -25.43 64.43 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 121.067 -1.021 . . . . 0.57 111.697 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' NZ ' ' OD1' ' A' ' 15' ' ' ASP . 13.7 mptt -69.68 -30.01 67.58 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-O 121.566 0.698 . . . . 0.57 110.655 172.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -73.01 -35.02 66.72 Favored 'General case' 0 C--N 1.381 1.954 0 CA-C-O 121.872 0.844 . . . . 1.2 111.906 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 74' ' ' ILE . 41.2 mt -76.58 -15.57 59.82 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 115.77 -0.65 . . . . 0.57 111.699 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 84.98 39.78 0.02 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 126.909 2.084 . . . . 0.57 113.532 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.83 150.11 38.1 Favored Pre-proline 0 C--N 1.382 2.006 0 CA-C-N 114.652 -1.158 . . . . 0.57 109.678 166.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.9 158.27 13.73 Favored 'Trans proline' 0 C--N 1.382 2.337 0 CA-C-O 123.968 1.57 . . . . 0.57 110.195 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.27 64.29 5.94 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-O 124.659 2.171 . . . . 0.57 109.934 167.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 14.7 t70 -132.8 -44.61 0.88 Allowed 'General case' 0 C--N 1.38 1.914 0 CA-C-N 112.008 -2.36 . . . . 0.91 104.75 155.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.96 -38.7 61.64 Favored 'General case' 0 C--N 1.391 2.405 0 CA-C-N 113.338 -1.755 . . . . 0.57 110.053 -174.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt -66.31 -36.54 77.62 Favored 'Isoleucine or valine' 0 C--N 1.381 1.972 0 CA-C-O 123.142 1.449 . . . . 0.57 107.829 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' OD2' ' NH1' ' A' ' 32' ' ' ARG . 1.6 m-20 -71.49 -16.87 62.37 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 114.956 -1.02 . . . . 0.91 110.401 -168.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' NZ ' ' OD1' ' A' ' 26' ' ' ASP . 48.4 mttp -96.82 31.44 2.35 Favored 'General case' 0 C--N 1.378 1.834 0 CA-C-O 123.069 1.414 . . . . 0.57 111.885 171.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.49 -1.54 0.27 Allowed 'General case' 0 C--N 1.381 1.938 0 CA-C-N 114.927 -1.033 . . . . 0.57 113.714 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.471 ' NH1' ' OD2' ' A' ' 29' ' ' ASP . 37.0 mtt85 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-O 123.34 1.543 . . . . 1.2 109.668 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 68.68 19.05 8.65 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.755 -1.566 . . . . 0.57 112.634 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -91.35 155.86 18.19 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 123.705 1.717 . . . . 0.57 107.86 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' NZ ' ' OE1' ' A' ' 7' ' ' GLU . 15.0 mttm -96.29 103.98 15.92 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.275 -2.12 . . . . 0.57 105.275 165.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.32 109.87 13.43 Favored 'Isoleucine or valine' 0 C--N 1.376 1.721 0 N-CA-C 105.083 -2.191 . . . . 0.57 105.083 170.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.05 145.25 9.76 Favored 'Isoleucine or valine' 0 C--N 1.379 1.855 0 N-CA-C 104.607 -2.368 . . . . 0.57 104.607 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -124.0 150.02 45.35 Favored 'General case' 0 C--N 1.374 1.635 0 CA-C-O 123.268 1.509 . . . . 0.57 110.818 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' OE1' ' NZ ' ' A' ' 5' ' ' LYS . 6.5 mm-40 -142.39 103.54 4.28 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 104.243 -2.503 . . . . 0.91 104.243 -165.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.53 158.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 105.841 -1.911 . . . . 0.57 105.841 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 0.9 OUTLIER -161.25 121.19 2.64 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 106.13 -1.804 . . . . 0.57 106.13 165.338 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -85.12 130.55 34.59 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.413 -1.699 . . . . 0.57 106.413 169.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 41.8 m-20 -89.07 -36.21 15.89 Favored 'General case' 0 C--N 1.379 1.879 0 CA-C-O 123.474 1.607 . . . . 0.91 108.247 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.23 -95.13 0.1 OUTLIER Glycine 0 C--N 1.385 3.251 0 N-CA-C 106.37 -2.692 . . . . 0.57 106.37 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -94.8 -6.63 42.49 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 122.622 1.201 . . . . 0.57 110.646 162.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.45 157.16 16.14 Favored 'General case' 0 C--N 1.38 1.905 0 N-CA-C 106.407 -1.701 . . . . 0.57 106.407 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -139.05 145.78 40.0 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-O 123.677 1.703 . . . . 0.57 109.196 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 142.07 47.18 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 106.443 -1.688 . . . . 0.57 106.443 164.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -149.69 130.59 14.27 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 107.505 -1.294 . . . . 0.57 107.505 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m -148.19 154.32 39.95 Favored 'General case' 0 C--N 1.373 1.622 0 CA-C-O 123.722 1.725 . . . . 0.57 109.109 -175.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -139.07 149.42 44.56 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.468 -1.242 . . . . 0.57 108.266 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -105.35 129.69 53.63 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 122.478 1.133 . . . . 0.57 108.909 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -100.91 130.49 25.07 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 102.739 -3.06 . . . . 0.57 102.739 162.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.79 89.55 1.29 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 121.623 1.549 . . . . 0.57 108.865 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.64 32.93 0.27 Allowed Glycine 0 C--N 1.383 3.183 0 CA-C-N 113.445 -1.707 . . . . 0.57 115.238 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.26 34.3 14.82 Favored Glycine 0 C--N 1.383 3.15 0 C-N-CA 119.633 -1.27 . . . . 0.57 114.08 155.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -141.42 52.74 1.54 Allowed 'General case' 0 C--N 1.374 1.655 0 CA-C-O 123.272 1.511 . . . . 0.57 107.115 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 p -69.97 145.75 51.62 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-N 113.248 -1.796 . . . . 0.57 109.735 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.406 HG23 HG21 ' A' ' 73' ' ' THR . 24.6 mm -96.09 149.86 4.55 Favored 'Isoleucine or valine' 0 C--N 1.377 1.793 0 N-CA-C 105.1 -2.185 . . . . 0.57 105.1 175.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -155.66 144.16 20.26 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.964 -1.495 . . . . 0.57 106.964 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 143.34 14.84 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.753 -1.573 . . . . 0.57 106.753 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.4 m -116.33 143.25 45.79 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 105.317 -2.105 . . . . 0.57 105.317 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -157.67 155.6 30.29 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-O 123.353 1.549 . . . . 0.57 110.084 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -108.96 141.24 41.33 Favored 'General case' 0 C--N 1.374 1.646 0 N-CA-C 107.056 -1.461 . . . . 0.57 107.056 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.9 mm -83.03 142.23 13.84 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 CA-C-O 122.808 1.289 . . . . 0.57 109.285 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.69 31.56 Favored Glycine 0 C--N 1.377 2.831 0 CA-C-N 113.499 -1.682 . . . . 0.57 114.908 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -156.08 -160.68 1.03 Allowed 'General case' 0 C--N 1.376 1.73 0 CA-C-O 122.632 1.206 . . . . 0.57 109.165 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 169.14 18.76 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-O 123.274 1.511 . . . . 0.91 109.373 166.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -149.24 166.39 29.04 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 104.745 -2.317 . . . . 0.57 104.745 148.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.418 ' OD1' ' NZ ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -88.44 136.59 32.91 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 106.487 -1.671 . . . . 0.91 106.487 167.047 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.9 mm -143.32 145.2 22.82 Favored 'Isoleucine or valine' 0 C--N 1.377 1.787 0 N-CA-C 107.839 -1.171 . . . . 0.57 107.839 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 73' ' ' THR . 0.9 OUTLIER -169.07 154.67 6.18 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 107.709 -1.219 . . . . 0.91 107.709 174.776 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.416 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 15.3 t -173.71 24.49 0.01 OUTLIER 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.289 -1.323 . . . . 0.57 113.828 136.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.499 ' O ' HG22 ' A' ' 74' ' ' ILE . 31.3 mm -136.5 51.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.8 0 CA-C-O 123.823 1.773 . . . . 0.57 110.579 -175.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.6 51.08 1.06 Allowed Glycine 0 C--N 1.38 2.983 0 N-CA-C 117.657 1.823 . . . . 0.57 117.657 149.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.01 4.04 78.89 Favored Glycine 0 C--N 1.371 2.509 0 CA-C-O 122.615 1.119 . . . . 0.57 114.906 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 62.66 6.09 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-O 123.874 1.797 . . . . 0.57 107.765 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 76.82 10.0 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.041 -1.89 . . . . 0.57 107.465 -175.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -76.56 147.83 37.43 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 113.772 -1.558 . . . . 0.57 109.429 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 20.7 ttmm -86.19 129.49 34.83 Favored 'General case' 0 C--N 1.385 2.134 0 N-CA-C 103.694 -2.706 . . . . 0.57 103.694 145.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.71 158.21 39.23 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 114.365 -1.289 . . . . 0.57 108.291 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -88.23 145.99 25.59 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 114.564 -1.198 . . . . 0.57 108.22 172.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 p -149.28 129.86 4.45 Favored 'Isoleucine or valine' 0 C--N 1.376 1.741 0 CA-C-O 124.657 2.17 . . . . 0.57 108.459 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -163.57 164.0 24.35 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.951 -1.477 . . . . 0.57 108.869 -146.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.76 95.27 5.45 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 105.923 -1.881 . . . . 0.57 105.923 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -79.63 53.01 1.51 Allowed 'General case' 0 C--N 1.38 1.926 0 CA-C-O 123.351 1.548 . . . . 0.91 110.96 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.64 54.67 3.87 Favored Glycine 0 C--N 1.39 3.552 0 C-N-CA 118.898 -1.62 . . . . 0.57 114.156 157.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.31 -6.43 59.5 Favored Glycine 0 C--N 1.38 2.982 0 CA-C-O 123.032 1.351 . . . . 0.57 112.403 -173.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.51 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 35.8 mttm -119.03 135.53 54.58 Favored 'General case' 0 C--N 1.369 1.444 0 N-CA-C 105.654 -1.98 . . . . 0.57 105.654 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.07 156.64 4.52 Favored 'Isoleucine or valine' 0 C--N 1.367 1.368 0 N-CA-C 105.14 -2.17 . . . . 0.57 105.14 158.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -154.37 143.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 122.703 1.24 . . . . 0.57 110.791 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.49 137.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.382 1.989 0 N-CA-C 106.14 -1.8 . . . . 0.57 106.14 156.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -132.1 143.73 50.22 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-O 122.881 1.324 . . . . 0.57 108.42 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.25 169.8 9.88 Favored Pre-proline 0 C--N 1.372 1.573 0 N-CA-C 106.006 -1.849 . . . . 0.57 106.006 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.99 -27.88 85.88 Favored 'Trans proline' 0 C--N 1.382 2.329 0 N-CA-C 118.66 2.523 . . . . 0.57 118.66 -155.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -139.19 40.18 2.1 Favored 'General case' 0 C--N 1.373 1.599 0 CA-C-O 123.888 1.804 . . . . 0.57 110.228 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -156.85 96.6 1.63 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-N 112.814 -1.994 . . . . 0.57 107.773 -169.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.53 145.93 28.36 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.71 -1.959 . . . . 0.57 105.71 172.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.477 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 19.5 t60 -154.82 90.68 1.32 Allowed 'General case' 0 C--N 1.378 1.844 0 C-N-CA 119.725 -0.79 . . . . 0.57 108.892 -175.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.7 p -86.66 159.28 19.24 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 123.052 1.406 . . . . 0.57 111.134 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.96 129.56 18.04 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 113.727 -1.579 . . . . 0.57 106.871 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.51 ' OE1' ' NZ ' ' A' ' 89' ' ' LYS . 9.1 pt-20 -158.72 153.11 24.16 Favored 'General case' 0 C--N 1.373 1.605 0 CA-C-O 123.573 1.654 . . . . 0.91 111.431 -157.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.37 137.82 38.16 Favored 'Isoleucine or valine' 0 C--N 1.373 1.61 0 CA-C-N 114.421 -1.263 . . . . 0.57 108.813 -167.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . 0.28 20.2 t -124.24 -119.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.908 0 N-CA-C 106.442 -1.688 . . . . 0.57 106.442 170.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.483 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 13.0 p-10 -78.56 40.75 0.38 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 125.313 2.482 . . . . 0.91 111.404 -176.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 67.56 16.92 68.23 Favored Glycine 0 C--N 1.378 2.902 0 O-C-N 120.097 -1.627 . . . . 0.57 110.336 -169.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.483 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 47.4 mttm -74.22 140.64 45.2 Favored 'General case' 0 C--N 1.393 2.495 0 N-CA-C 104.993 -2.225 . . . . 0.57 104.993 146.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.03 102.73 14.56 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 101.184 -3.636 . . . . 0.57 101.184 155.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.6 151.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.372 1.554 0 N-CA-C 105.21 -2.144 . . . . 0.57 105.21 170.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.477 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 37.2 tt0 -147.53 142.0 26.44 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 105.841 -1.911 . . . . 0.91 105.841 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.3 t -140.27 104.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.632 0 N-CA-C 106.46 -1.682 . . . . 0.57 106.46 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.29 153.95 29.49 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 123.492 1.615 . . . . 0.57 107.508 159.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 15.6 m -153.83 107.42 2.97 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 105.77 -1.937 . . . . 0.57 105.77 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.3 159.16 2.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 CA-C-N 112.309 -2.223 . . . . 0.57 105.311 170.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.88 91.68 0.35 Allowed Glycine 0 C--N 1.373 2.622 0 N-CA-C 108.947 -1.661 . . . . 0.57 108.947 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.92 9.07 7.68 Favored Glycine 0 C--N 1.379 2.965 0 N-CA-C 116.692 1.437 . . . . 0.57 116.692 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -169.25 148.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.806 0 CA-C-O 122.547 1.165 . . . . 0.57 110.766 158.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 p -87.97 161.7 17.27 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.627 1.679 . . . . 0.57 109.273 164.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -152.68 86.37 1.26 Allowed 'General case' 0 C--N 1.373 1.625 0 N-CA-C 105.718 -1.956 . . . . 0.57 105.718 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -86.13 147.81 25.98 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 111.596 -2.547 . . . . 0.91 107.384 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -152.23 132.22 13.4 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 112.029 -2.351 . . . . 1.2 105.745 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.26 117.54 53.79 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 106.344 -1.724 . . . . 0.57 106.344 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.1 m -110.13 156.28 20.8 Favored 'General case' 0 C--N 1.377 1.782 0 CA-C-N 114.435 -1.257 . . . . 0.57 108.008 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.483 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 1.8 tmtm? -131.39 153.5 49.6 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 123.443 1.592 . . . . 0.57 107.32 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -84.21 70.03 10.51 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 124.074 1.892 . . . . 0.57 108.508 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.34 73.61 10.45 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 103.37 -2.826 . . . . 0.57 103.37 168.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.569 0 CA-C-N 111.766 -2.47 . . . . 0.66 112.316 -164.244 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 123.955 1.836 . . . . 1.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.62 -22.26 51.04 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 113.28 -1.782 . . . . 1.0 111.86 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -74.67 160.72 30.44 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.516 1.627 . . . . 1.0 110.31 -175.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.49 14.94 Favored Glycine 0 C--N 1.372 2.529 0 CA-C-N 114.29 -1.323 . . . . 1.0 110.495 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.523 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.9 tttp -99.47 116.73 32.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 105.688 -1.967 . . . . 1.0 105.688 171.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -98.03 150.13 21.72 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 114.073 -1.421 . . . . 1.0 109.151 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.513 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 5.8 tt0 -107.7 152.87 23.74 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 113.166 -1.833 . . . . 1.0 106.157 159.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.91 130.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 N-CA-C 105.145 -2.169 . . . . 1.0 105.145 168.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 23.2 tt0 -82.23 -48.36 11.35 Favored 'General case' 0 C--N 1.376 1.747 0 N-CA-C 107.029 -1.471 . . . . 1.0 107.029 176.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -170.66 154.15 4.37 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-O 121.707 0.765 . . . . 1.0 109.378 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.35 153.24 42.11 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 105.741 -1.948 . . . . 1.0 105.741 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 120' ' ' GLU . 32.4 ttmt -98.68 -47.88 5.17 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 119.218 -0.993 . . . . 1.0 110.307 -177.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -125.47 37.97 4.27 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 124.496 2.093 . . . . 1.0 111.266 -155.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.08 -43.32 87.69 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 112.818 -1.992 . . . . 1.0 109.761 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.411 ' OD2' ' NE ' ' A' ' 32' ' ' ARG . 15.1 t70 -65.77 -51.92 55.16 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 122.449 1.119 . . . . 1.0 108.215 -165.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.3 -21.39 62.08 Favored 'General case' 0 C--N 1.382 2.009 0 CA-C-N 114.813 -1.085 . . . . 1.0 113.063 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 122.314 1.054 . . . . 1.0 108.502 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.4 mmm -66.0 -23.79 66.64 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 121.915 0.864 . . . . 1.0 110.23 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-O 122.91 1.338 . . . . 1.0 108.871 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -73.02 -15.07 61.53 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 122.329 1.062 . . . . 1.0 112.971 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 -5.27 59.2 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-N 115.358 -0.837 . . . . 1.0 112.873 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.21 47.16 4.2 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-O 123.662 1.696 . . . . 1.0 110.252 169.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -102.29 159.51 29.15 Favored Pre-proline 0 C--N 1.377 1.787 0 CA-C-N 113.04 -1.891 . . . . 1.0 111.303 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.06 161.88 37.87 Favored 'Trans proline' 0 C--N 1.381 2.271 0 CA-C-O 123.358 1.316 . . . . 1.0 108.811 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 t -58.29 -34.44 70.55 Favored 'General case' 0 C--N 1.387 2.238 0 CA-C-N 113.781 -1.554 . . . . 1.0 110.021 -171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.507 ' OD2' ' NE2' ' A' ' 57' ' ' HIS . 32.4 t70 -60.27 -38.51 83.77 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.197 1.951 . . . . 1.0 108.426 -169.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.32 -22.53 64.7 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 118.711 -1.196 . . . . 1.0 113.522 -178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.1 mt -89.76 -48.94 14.2 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-O 121.688 0.756 . . . . 1.0 109.066 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.29 4.0 p30 -76.79 -9.97 59.05 Favored 'General case' 0 C--N 1.374 1.632 0 N-CA-C 115.078 1.51 . . . . 1.0 115.078 -167.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.41 -9.44 59.6 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 118.847 -1.141 . . . . 1.0 111.127 170.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.86 36.81 3.07 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 123.026 1.393 . . . . 1.0 112.719 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' NE ' ' OD2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -74.6 82.17 2.02 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 123.522 1.629 . . . . 1.0 109.21 171.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 88.98 29.8 0.02 OUTLIER 'General case' 0 C--N 1.379 1.887 0 CA-C-N 112.976 -1.92 . . . . 1.0 113.498 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -91.75 155.29 18.37 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 123.814 1.769 . . . . 1.0 110.878 164.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 7.6 mtpm? -88.74 107.17 18.81 Favored 'General case' 0 C--N 1.378 1.84 0 N-CA-C 104.183 -2.525 . . . . 1.0 104.183 168.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.17 146.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-O 123.61 1.671 . . . . 1.0 107.117 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.65 158.66 4.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 N-CA-C 106.068 -1.826 . . . . 1.0 106.068 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 141.07 25.08 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 121.439 -0.788 . . . . 1.0 109.656 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.523 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 5.2 mp0 -102.36 149.37 24.42 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 107.638 -1.245 . . . . 1.0 107.638 157.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -136.19 141.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 106.304 -1.739 . . . . 1.0 106.304 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 26.7 ttpp -141.06 142.09 34.2 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 106.546 -1.65 . . . . 1.0 106.546 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -112.88 98.19 7.03 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.6 m-20 -87.01 67.11 9.69 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-O 124.49 2.09 . . . . 1.0 106.237 -176.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.0 -111.86 4.06 Favored Glycine 0 C--N 1.381 3.059 0 CA-C-N 113.804 -1.543 . . . . 1.0 110.039 -170.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -95.15 -14.05 24.49 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.569 -1.316 . . . . 1.0 112.32 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -81.11 155.57 26.2 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 107.112 -1.44 . . . . 1.0 107.112 166.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -131.75 126.0 33.37 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 105.498 -2.038 . . . . 1.0 105.498 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.5 m -96.15 143.58 27.15 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 106.221 -1.77 . . . . 1.0 106.221 164.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -149.29 110.77 4.47 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 107.025 -1.472 . . . . 1.0 107.025 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 30.9 t -103.06 144.6 31.08 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 122.186 0.994 . . . . 1.0 109.317 171.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.94 149.72 38.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 106.725 -1.583 . . . . 1.0 106.725 162.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -139.77 132.31 28.7 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.205 1.479 . . . . 1.0 108.141 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.83 134.03 31.19 Favored Pre-proline 0 C--N 1.375 1.684 0 N-CA-C 103.927 -2.62 . . . . 1.0 103.927 169.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -80.73 76.21 4.64 Favored 'Trans proline' 0 C--N 1.371 1.736 0 CA-C-O 124.386 1.744 . . . . 1.0 107.787 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -175.83 -69.82 0.05 OUTLIER Glycine 0 C--N 1.38 2.979 0 CA-C-N 113.327 -1.76 . . . . 1.0 110.91 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.76 17.13 0.04 OUTLIER Glycine 0 C--N 1.39 3.572 0 C-N-CA 116.784 -2.627 . . . . 1.0 117.851 -168.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.507 ' NE2' ' OD2' ' A' ' 26' ' ' ASP . 4.2 m-70 -134.59 161.51 34.89 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 107.003 -1.48 . . . . 1.0 107.003 165.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -162.18 151.32 15.58 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 106.763 -1.569 . . . . 1.0 106.763 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.9 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 N-CA-C 104.235 -2.505 . . . . 1.0 104.235 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 50' ' ' SER . 1.6 t -142.55 164.06 31.14 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 108.636 -0.875 . . . . 1.0 108.636 160.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.37 149.34 17.13 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 m -110.8 144.4 39.86 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.306 -1.738 . . . . 1.0 106.306 165.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -151.27 165.18 34.78 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-O 122.321 1.057 . . . . 1.0 108.473 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -118.71 139.73 51.07 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-O 122.464 1.126 . . . . 1.0 109.445 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.1 mm -78.06 139.0 19.26 Favored 'Isoleucine or valine' 0 C--N 1.377 1.768 0 N-CA-C 107.324 -1.362 . . . . 1.0 107.324 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.75 47.38 Favored Glycine 0 C--N 1.378 2.915 0 CA-C-N 115.224 -0.898 . . . . 1.0 113.543 173.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.562 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.3 tttm -154.18 169.07 24.47 Favored 'General case' 0 C--N 1.373 1.598 0 CA-C-O 122.933 1.349 . . . . 1.0 107.874 -174.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -83.37 168.14 16.88 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-O 123.523 1.63 . . . . 1.0 108.545 157.377 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 p -155.11 163.44 40.25 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-N 113.996 -1.457 . . . . 1.0 107.302 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.86 119.41 39.36 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 104.423 -2.436 . . . . 1.0 104.423 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -101.81 145.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.374 1.631 0 N-CA-C 105.356 -2.091 . . . . 1.0 105.356 166.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -140.35 173.09 11.85 Favored 'General case' 0 C--N 1.375 1.691 0 CA-C-O 123.441 1.591 . . . . 1.0 108.35 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.317 4.2 p 84.59 -147.75 0.01 OUTLIER 'General case' 0 C--N 1.376 1.718 0 CA-C-N 113.996 -1.457 . . . . 1.0 109.651 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.263 43.8 mm 55.98 45.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.169 0 CA-C-O 125.254 2.454 . . . . 1.0 109.357 172.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.91 7.96 55.97 Favored Glycine 0 C--N 1.382 3.12 0 CA-C-N 112.831 -1.986 . . . . 1.0 114.287 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.59 27.9 Favored Glycine 0 C--N 1.377 2.847 0 CA-C-O 122.344 0.969 . . . . 1.0 114.623 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 105.99 18.14 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 106.873 -1.528 . . . . 1.0 106.873 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -81.01 114.93 20.22 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 104.987 -2.227 . . . . 1.0 104.987 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.11 124.18 39.99 Favored 'General case' 0 C--N 1.371 1.52 0 N-CA-C 107.322 -1.362 . . . . 1.0 107.322 -177.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -75.98 154.92 35.48 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.653 1.692 . . . . 1.0 109.128 161.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -157.51 149.96 22.81 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-N 112.788 -2.006 . . . . 1.0 108.509 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -106.76 144.44 33.41 Favored 'General case' 0 C--N 1.375 1.69 0 N-CA-C 107.077 -1.453 . . . . 1.0 107.077 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.24 131.52 55.18 Favored 'Isoleucine or valine' 0 C--N 1.374 1.664 0 CA-C-O 123.77 1.748 . . . . 1.0 108.776 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -126.85 170.07 12.59 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 124.028 1.871 . . . . 1.0 108.227 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.4 ttt -132.02 147.74 52.47 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 105.292 -2.114 . . . . 1.0 105.292 170.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.375 0.0 OUTLIER -101.16 -148.8 0.37 Allowed 'General case' 0 C--N 1.374 1.663 0 N-CA-C 107.874 -1.158 . . . . 1.0 107.874 151.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.45 -39.15 15.55 Favored Glycine 0 C--N 1.371 2.526 0 C-N-CA 119.59 -1.29 . . . . 1.0 115.366 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.16 -11.31 37.03 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.176 -0.512 . . . . 1.0 114.368 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -144.12 131.73 21.16 Favored 'General case' 0 C--N 1.381 1.95 0 CA-C-O 122.854 1.312 . . . . 1.0 111.117 -156.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -87.84 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.378 1.843 0 N-CA-C 106.229 -1.767 . . . . 1.0 106.229 165.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.04 108.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.666 0 CA-C-O 123.245 1.497 . . . . 1.0 108.547 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.04 148.09 4.88 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 N-CA-C 106.517 -1.66 . . . . 1.0 106.517 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -147.29 151.99 37.54 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.172 -1.788 . . . . 1.0 106.172 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.25 168.55 6.52 Favored Pre-proline 0 C--N 1.367 1.366 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -80.86 3.27 7.91 Favored 'Trans proline' 0 C--N 1.38 2.191 0 N-CA-C 115.418 1.276 . . . . 1.0 115.418 -163.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.34 38.55 0.14 Allowed 'General case' 0 C--N 1.377 1.792 0 CA-C-O 124.653 2.168 . . . . 1.0 108.002 164.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -162.74 148.44 12.29 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-N 113.788 -1.551 . . . . 1.0 108.493 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -151.67 145.26 24.93 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 105.743 -1.947 . . . . 1.0 105.743 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.542 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 42.0 t60 -151.47 156.01 39.73 Favored 'General case' 0 C--N 1.373 1.617 0 N-CA-C 107.32 -1.363 . . . . 1.0 107.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.79 139.46 10.12 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 105.797 -1.927 . . . . 1.0 105.797 -162.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.6 119.29 3.68 Favored 'General case' 0 C--N 1.375 1.717 0 O-C-N 124.049 0.843 . . . . 1.0 110.021 -163.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -139.77 155.92 47.04 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-O 122.696 1.236 . . . . 1.0 113.48 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.5 mm -105.84 137.51 35.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.808 0 CA-C-N 114.193 -1.367 . . . . 1.0 111.186 -171.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -121.82 -115.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.383 2.038 0 N-CA-C 106.013 -1.847 . . . . 1.0 106.013 169.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 10.2 p-10 -79.96 46.86 0.83 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 125.357 2.503 . . . . 1.0 111.621 -173.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.8 3.69 36.41 Favored Glycine 0 C--N 1.38 3.014 0 CA-C-N 114.054 -1.43 . . . . 1.0 111.962 -164.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.484 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 6.3 tppt? -73.58 127.19 32.08 Favored 'General case' 0 C--N 1.374 1.64 0 N-CA-C 103.764 -2.68 . . . . 1.0 103.764 164.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.62 101.12 10.97 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 103.379 -2.823 . . . . 1.0 103.379 169.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.12 144.52 11.17 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 N-CA-C 105.179 -2.156 . . . . 1.0 105.179 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.542 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 2.3 mt-10 -143.57 146.24 33.16 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 122.96 1.362 . . . . 1.0 110.035 -176.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.9 t -143.3 126.54 13.32 Favored 'Isoleucine or valine' 0 C--N 1.38 1.916 0 N-CA-C 106.842 -1.54 . . . . 1.0 106.842 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -108.63 163.82 12.9 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.886 1.803 . . . . 1.0 110.721 166.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.4 m -153.06 111.47 3.68 Favored 'General case' 0 C--N 1.372 1.552 0 N-CA-C 105.76 -1.941 . . . . 1.0 105.76 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.82 175.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.373 1.601 0 N-CA-C 106.07 -1.826 . . . . 1.0 106.07 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.33 89.5 0.27 Allowed Glycine 0 C--N 1.374 2.644 0 CA-C-O 123.057 1.365 . . . . 1.0 110.014 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.64 -8.98 10.79 Favored Glycine 0 C--N 1.379 2.955 0 N-CA-C 117.528 1.771 . . . . 1.0 117.528 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.7 t -145.19 141.1 22.81 Favored 'Isoleucine or valine' 0 C--N 1.375 1.705 0 CA-C-O 122.562 1.173 . . . . 1.0 108.476 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.3 p -98.0 156.82 16.45 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.73 1.253 . . . . 1.0 109.165 162.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -155.06 117.94 4.35 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 106.61 -1.626 . . . . 1.0 106.61 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' A' ' 12' ' ' LYS . 3.9 pm0 -119.81 152.45 37.25 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 124.158 1.933 . . . . 1.0 110.961 -177.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -155.99 164.14 38.84 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-N 112.696 -2.047 . . . . 1.0 111.649 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.32 118.22 52.0 Favored 'Isoleucine or valine' 0 C--N 1.372 1.568 0 CA-C-N 112.722 -2.035 . . . . 1.0 106.546 170.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.0 m -102.04 168.06 9.64 Favored 'General case' 0 C--N 1.377 1.773 0 CA-C-O 123.265 1.507 . . . . 1.0 108.677 163.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 15.5 tppt? -147.21 123.2 10.72 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.65 -1.611 . . . . 1.0 106.65 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -75.96 118.88 19.2 Favored 'General case' 0 C--N 1.378 1.843 0 N-CA-C 105.681 -1.97 . . . . 1.0 105.681 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.5 tp -142.22 7.9 1.8 Allowed 'General case' 0 C--N 1.376 1.725 0 CA-C-O 123.991 1.853 . . . . 1.0 110.888 -170.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.668 0 CA-C-O 127.932 3.73 . . . . 1.0 110.838 -174.53 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 125.576 2.608 . . . . 1.0 108.476 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -69.78 -30.88 68.54 Favored 'General case' 0 C--N 1.391 2.393 0 CA-C-N 110.885 -2.87 . . . . 1.0 111.25 -162.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -65.29 150.03 48.94 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-O 122.897 1.332 . . . . 1.0 111.9 -159.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -172.15 22.03 Favored Glycine 0 C--N 1.379 2.937 0 CA-C-O 122.912 1.284 . . . . 1.0 114.042 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 49.3 tttp -94.61 145.8 24.57 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.255 -1.473 . . . . 1.0 107.178 173.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.97 166.76 24.04 Favored 'General case' 0 C--N 1.37 1.493 0 CA-C-O 123.998 1.856 . . . . 1.0 109.609 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 3.4 tm-20 -151.84 136.34 16.9 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 113.482 -1.69 . . . . 1.0 108.865 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.6 mt -86.68 135.04 26.01 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-N 113.712 -1.586 . . . . 1.0 110.571 -167.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.76 -51.28 8.82 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-N 113.19 -1.823 . . . . 1.0 109.16 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.3 t -167.73 170.75 10.65 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-O 123.063 1.411 . . . . 1.0 109.827 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -130.69 89.91 2.83 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-N 112.577 -2.102 . . . . 1.0 105.742 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' NZ ' ' OE1' ' A' ' 120' ' ' GLU . 1.3 ptmm? -80.56 43.41 0.66 Allowed 'General case' 0 C--N 1.381 1.949 0 N-CA-C 115.207 1.558 . . . . 1.0 115.207 -166.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -164.21 -81.79 0.03 OUTLIER 'General case' 0 C--N 1.375 1.69 0 N-CA-C 106.436 -1.69 . . . . 1.0 106.436 157.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.3 t80 71.1 -55.32 0.65 Allowed 'General case' 0 C--N 1.375 1.715 0 C-N-CA 125.622 1.569 . . . . 1.0 110.387 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.88 -53.63 17.14 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-O 122.591 1.186 . . . . 1.0 108.357 -163.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -75.46 -5.23 44.0 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-N 115.257 -0.883 . . . . 1.0 113.03 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.08 -51.82 8.55 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 122.5 1.143 . . . . 1.0 108.734 166.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.29 -30.38 69.37 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 122.222 1.011 . . . . 1.0 110.404 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -68.05 -38.78 82.85 Favored 'General case' 0 C--N 1.384 2.074 0 CA-C-O 123.854 1.788 . . . . 1.0 108.431 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -28.12 65.7 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-N 113.11 -1.859 . . . . 1.0 113.21 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -76.97 -17.59 58.78 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.5 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 81.16 39.28 0.07 Allowed 'General case' 0 C--N 1.374 1.655 0 C-N-CA 126.013 1.725 . . . . 1.0 112.549 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.25 157.31 34.3 Favored Pre-proline 0 C--N 1.379 1.851 0 CA-C-N 114.265 -1.334 . . . . 1.0 110.096 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -88.2 156.65 6.91 Favored 'Trans proline' 0 C--N 1.386 2.533 0 CA-C-O 124.203 1.668 . . . . 1.0 113.766 -162.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 p -82.03 57.63 3.6 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-O 123.976 1.846 . . . . 1.0 110.515 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.499 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 33.8 t70 -139.06 -46.62 0.47 Allowed 'General case' 0 C--N 1.378 1.811 0 N-CA-C 104.418 -2.438 . . . . 1.0 104.418 160.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.98 -34.36 75.18 Favored 'General case' 0 C--N 1.39 2.344 0 CA-C-N 113.429 -1.714 . . . . 1.0 110.235 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.55 -44.27 70.72 Favored 'Isoleucine or valine' 0 C--N 1.378 1.805 0 N-CA-C 107.164 -1.421 . . . . 1.0 107.164 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -30.81 64.37 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.746 -161.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' NZ ' ' OD1' ' A' ' 26' ' ' ASP . 57.0 mttp -77.61 -19.05 56.18 Favored 'General case' 0 C--N 1.377 1.781 0 CA-C-N 115.114 -0.948 . . . . 1.0 112.026 175.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.92 -29.37 13.35 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 114.892 1.441 . . . . 1.0 114.892 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -76.36 29.05 0.12 Allowed 'General case' 0 C--N 1.382 1.997 0 N-CA-C 117.199 2.296 . . . . 1.0 117.199 -156.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.89 32.99 0.26 Allowed 'General case' 0 C--N 1.37 1.479 0 CA-C-O 123.761 1.743 . . . . 1.0 109.32 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.4 mt -98.27 168.42 10.24 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.515 2.103 . . . . 1.0 112.229 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -139.14 91.17 2.49 Favored 'General case' 0 C--N 1.381 1.961 0 CA-C-N 112.402 -2.181 . . . . 1.0 105.937 -177.564 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.42 149.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 CA-C-N 113.132 -1.849 . . . . 1.0 110.178 -172.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mm -99.77 154.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.385 2.137 0 N-CA-C 106.266 -1.753 . . . . 1.0 106.266 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.9 147.43 27.19 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.552 1.168 . . . . 1.0 113.674 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -117.62 155.3 30.11 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 172.197 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.2 113.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.498 0 CA-C-O 123.223 1.487 . . . . 1.0 107.054 164.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -101.76 141.43 34.64 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-N 113.197 -1.819 . . . . 1.0 106.148 172.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -93.32 145.12 24.69 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 106.366 -1.716 . . . . 1.0 106.366 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -110.09 -34.59 6.35 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-O 122.346 1.069 . . . . 1.0 109.141 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.94 -103.63 0.18 Allowed Glycine 0 C--N 1.378 2.892 0 N-CA-C 107.729 -2.148 . . . . 1.0 107.729 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -80.61 -16.96 52.78 Favored 'General case' 0 C--N 1.381 1.935 0 CA-C-O 123.396 1.57 . . . . 1.0 109.278 162.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -93.41 153.88 18.25 Favored 'General case' 0 C--N 1.372 1.546 0 CA-C-O 122.909 1.338 . . . . 1.0 109.19 177.015 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.52 155.66 42.01 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 113.193 -1.821 . . . . 1.0 106.463 169.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.5 m -123.36 103.15 8.31 Favored 'General case' 0 C--N 1.369 1.429 0 N-CA-C 105.347 -2.094 . . . . 1.0 105.347 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -93.15 145.65 24.25 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.927 -1.942 . . . . 1.0 106.282 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.2 t -147.88 146.11 28.93 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-O 122.43 1.109 . . . . 1.0 108.278 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.65 131.64 45.0 Favored 'General case' 0 C--N 1.371 1.521 0 N-CA-C 106.562 -1.644 . . . . 1.0 106.562 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.61 119.03 34.34 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 106.489 -1.671 . . . . 1.0 106.489 164.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -77.33 151.46 80.94 Favored Pre-proline 0 C--N 1.377 1.775 0 N-CA-C 104.377 -2.453 . . . . 1.0 104.377 166.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -72.25 95.02 0.75 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 CA-C-O 124.542 1.809 . . . . 1.0 110.097 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.24 -55.49 4.94 Favored Glycine 0 C--N 1.381 3.029 0 CA-C-N 112.821 -1.991 . . . . 1.0 113.226 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.52 -9.16 87.26 Favored Glycine 0 C--N 1.382 3.091 0 N-CA-C 117.185 1.634 . . . . 1.0 117.185 -156.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.77 167.25 6.42 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.432 1.587 . . . . 1.0 109.64 176.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.2 p -113.03 161.7 16.74 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 106.68 -1.6 . . . . 1.0 106.68 152.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.9 mt -129.48 142.03 44.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 N-CA-C 102.378 -3.194 . . . . 1.0 102.378 169.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -163.5 148.06 10.83 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.903 -1.748 . . . . 1.0 108.03 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 144.44 20.47 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 107.716 -1.216 . . . . 1.0 107.716 164.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.0 m -84.36 146.89 27.46 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 104.936 -2.246 . . . . 1.0 104.936 160.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -151.97 159.92 43.63 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 108.111 -1.07 . . . . 1.0 108.111 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 5.7 m -132.57 131.77 41.85 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-O 122.555 1.169 . . . . 1.0 111.151 -174.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.81 114.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.772 0 CA-C-N 114.537 -1.211 . . . . 1.0 108.468 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.79 -6.6 57.14 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 114.336 -1.302 . . . . 1.0 115.723 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 24.3 tttm -100.95 161.41 13.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-O 122.882 1.325 . . . . 1.0 108.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -76.9 150.69 35.98 Favored 'General case' 0 C--N 1.385 2.126 0 CA-C-O 123.971 1.843 . . . . 1.0 109.156 154.035 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 74.4 m -136.0 158.34 44.65 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 106.759 -1.571 . . . . 1.0 106.759 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.97 140.11 30.11 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 104.053 -2.573 . . . . 1.0 104.053 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.0 mm -149.87 132.48 6.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.502 0 N-CA-C 106.944 -1.502 . . . . 1.0 106.944 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -162.19 168.79 21.89 Favored 'General case' 0 C--N 1.374 1.642 0 CA-C-O 123.162 1.458 . . . . 1.0 107.263 149.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.17 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.367 1.352 0 CA-C-N 113.705 -1.589 . . . . 1.0 115.242 171.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.95 -29.43 5.22 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 CA-C-O 121.848 0.832 . . . . 1.0 112.483 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.36 -6.93 4.59 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.381 -0.827 . . . . 1.0 113.818 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.25 -12.34 55.08 Favored Glycine 0 C--N 1.374 2.683 0 N-CA-C 116.826 1.491 . . . . 1.0 116.826 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 2.9 ptpp? -86.22 25.99 1.1 Allowed 'General case' 0 C--N 1.374 1.659 0 N-CA-C 116.446 2.017 . . . . 1.0 116.446 -160.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.7 tttp 49.35 72.19 0.32 Allowed 'General case' 0 C--N 1.375 1.691 0 CA-C-N 113.142 -1.844 . . . . 1.0 113.741 163.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 155.61 33.63 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 123.929 1.823 . . . . 1.0 111.296 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 29.5 mmmt -90.79 156.52 17.99 Favored 'General case' 0 C--N 1.385 2.131 0 CA-C-N 113.675 -1.602 . . . . 1.0 106.836 161.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.49 141.73 20.52 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 114.667 -1.151 . . . . 1.0 109.052 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -92.43 114.28 26.79 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 105.775 -1.935 . . . . 1.0 105.775 167.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.9 t -99.1 138.25 24.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 CA-C-O 123.586 1.66 . . . . 1.0 107.012 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -156.99 167.44 30.47 Favored 'General case' 0 C--N 1.374 1.671 0 CA-C-O 124.785 2.231 . . . . 1.0 110.1 -162.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.39 135.15 47.3 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 103.277 -2.86 . . . . 1.0 103.277 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.57 ' OE2' ' NE2' ' A' ' 98' ' ' HIS . 2.6 tt0 -105.18 3.78 30.56 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 122.616 1.198 . . . . 1.0 110.214 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.79 87.17 1.98 Allowed Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.86 1.256 . . . . 1.0 111.38 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.27 70.78 Favored Glycine 0 C--N 1.388 3.465 0 CA-C-N 113.66 -1.27 . . . . 1.0 114.756 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 4.6 ttmp? -173.65 101.84 0.11 Allowed 'General case' 0 C--N 1.374 1.673 0 N-CA-C 102.227 -3.249 . . . . 1.0 102.227 -133.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -81.45 156.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.466 0 N-CA-C 106.927 -1.509 . . . . 1.0 106.927 -175.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.4 p -149.47 139.9 16.49 Favored 'Isoleucine or valine' 0 C--N 1.377 1.798 0 CA-C-O 123.944 1.831 . . . . 1.0 111.801 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -112.35 103.12 14.94 Favored 'Isoleucine or valine' 0 C--N 1.376 1.733 0 N-CA-C 103.726 -2.694 . . . . 1.0 103.726 164.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -94.21 154.93 17.3 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 106.836 -1.542 . . . . 1.0 106.836 171.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.55 170.71 3.53 Favored Pre-proline 0 C--N 1.371 1.528 0 O-C-N 121.253 -0.904 . . . . 1.0 110.036 -167.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -62.21 103.9 0.32 Allowed 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.591 1.413 . . . . 1.0 111.516 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 67.36 32.7 5.72 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 123.558 1.647 . . . . 1.0 111.039 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -162.72 131.31 4.02 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 114.435 -1.257 . . . . 1.0 108.102 -169.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.57 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 8.7 t60 -144.06 135.74 26.04 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 106.196 -1.779 . . . . 1.0 106.196 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -142.7 111.94 6.6 Favored 'General case' 0 C--N 1.374 1.655 0 N-CA-C 107.058 -1.46 . . . . 1.0 107.058 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 p -96.59 161.45 13.89 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-O 123.346 1.546 . . . . 1.0 110.846 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.18 155.27 46.51 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 113.43 -1.714 . . . . 1.0 108.597 161.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 1.1 mm-40 -148.31 156.41 42.5 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 114.705 -1.134 . . . . 1.0 109.369 -168.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.0 mm -120.65 99.39 7.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.658 0 CA-C-O 123.484 1.611 . . . . 1.0 107.948 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -83.46 -161.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.386 2.162 0 N-CA-C 104.711 -2.329 . . . . 1.0 104.711 162.242 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.68 78.33 0.07 Allowed 'General case' 0 C--N 1.378 1.812 0 CA-C-O 124.929 2.3 . . . . 1.0 111.7 -165.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 67.49 3.81 28.09 Favored Glycine 0 C--N 1.386 3.355 0 CA-C-N 113.054 -1.885 . . . . 1.0 115.146 -172.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -92.23 125.93 37.1 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 105.331 -2.1 . . . . 1.0 105.331 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.2 tp -92.16 105.05 17.36 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 105.144 -2.169 . . . . 1.0 105.144 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.37 153.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 CA-C-O 123.212 1.482 . . . . 1.0 108.024 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -132.8 156.58 46.85 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 114.12 -1.4 . . . . 1.0 108.939 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.8 t -141.45 132.53 27.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 171.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 m -108.87 154.49 22.04 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 122.162 0.982 . . . . 1.0 109.356 159.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 94.0 m -144.29 128.62 17.85 Favored 'General case' 0 C--N 1.375 1.699 0 N-CA-C 106.062 -1.829 . . . . 1.0 106.062 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.03 47.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 CA-C-O 125.173 2.416 . . . . 1.0 108.18 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.95 -79.04 1.73 Allowed Glycine 0 C--N 1.379 2.936 0 CA-C-N 113.218 -1.81 . . . . 1.0 110.063 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.75 1.39 63.59 Favored Glycine 0 C--N 1.376 2.775 0 N-CA-C 116.569 1.388 . . . . 1.0 116.569 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.5 t -144.14 148.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.373 1.599 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -112.52 167.35 10.52 Favored 'General case' 0 C--N 1.38 1.919 0 CA-C-O 123.849 1.785 . . . . 1.0 109.676 166.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -158.87 98.23 1.47 Allowed 'General case' 0 C--N 1.373 1.591 0 N-CA-C 105.83 -1.915 . . . . 1.0 105.83 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 12.4 mp0 -97.31 155.6 16.81 Favored 'General case' 0 C--N 1.373 1.611 0 CA-C-O 123.824 1.773 . . . . 1.0 108.82 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -151.48 143.86 24.14 Favored 'General case' 0 C--N 1.375 1.683 0 CA-C-N 113.466 -1.697 . . . . 1.0 107.131 -168.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 42.0 t -127.78 136.57 60.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.84 0 CA-C-O 122.279 1.038 . . . . 1.0 108.28 -174.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.0 166.28 25.08 Favored 'General case' 0 C--N 1.376 1.76 0 CA-C-O 123.259 1.504 . . . . 1.0 109.639 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.48 163.11 33.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-O 122.799 1.285 . . . . 1.0 109.272 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -86.35 138.35 31.88 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-N 114.097 -1.41 . . . . 1.0 110.201 -168.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.9 mt -101.57 49.69 0.86 Allowed 'General case' 0 C--N 1.379 1.855 0 CA-C-O 124.648 2.166 . . . . 1.0 109.51 172.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.526 0 CA-C-O 125.168 2.414 . . . . 1.0 107.797 170.011 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GCH . . . . . 0.553 ' H40' ' H20' ' A' ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 124.123 1.916 . . . . 1.0 110.774 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.26 -18.49 42.28 Favored 'General case' 0 C--N 1.376 1.749 0 CA-C-N 113.151 -1.841 . . . . 1.0 112.621 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.3 m -62.27 152.9 32.27 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-O 124.481 2.086 . . . . 1.0 111.757 -162.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.55 -178.53 19.28 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 113.737 -1.574 . . . . 1.0 112.831 169.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 42.7 tttp -90.3 149.52 22.31 Favored 'General case' 0 C--N 1.38 1.93 0 N-CA-C 105.829 -1.915 . . . . 1.0 105.829 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -141.36 152.55 44.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 107.917 -1.142 . . . . 1.0 107.917 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.532 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 1.8 tt0 -127.11 161.83 27.53 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 108.067 -1.086 . . . . 1.0 108.067 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.424 HD12 ' HB ' ' A' ' 36' ' ' ILE . 7.9 mt -81.73 134.64 26.63 Favored 'Isoleucine or valine' 0 C--N 1.375 1.685 0 CA-C-O 123.237 1.494 . . . . 1.0 110.606 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -86.49 -51.23 6.32 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-N 113.524 -1.671 . . . . 1.0 109.347 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -164.32 159.19 19.57 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.414 1.102 . . . . 1.0 111.11 -168.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -149.93 168.98 22.25 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 126.7 2.0 . . . . 1.0 107.104 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 120' ' ' GLU . 2.6 ttpm? -141.16 -38.99 0.41 Allowed 'General case' 0 C--N 1.383 2.063 0 CA-C-N 114.56 -1.2 . . . . 1.0 111.657 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -114.07 14.83 18.39 Favored 'General case' 0 C--N 1.382 1.988 0 CA-C-O 122.61 1.195 . . . . 1.0 114.087 -157.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -61.13 -46.45 90.51 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 122.63 1.205 . . . . 1.0 109.795 -166.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.52 -45.14 73.06 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-O 123.216 1.484 . . . . 1.0 107.773 -167.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -65.49 -34.04 77.33 Favored 'General case' 0 C--N 1.385 2.138 0 CA-C-N 114.113 -1.403 . . . . 1.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.05 -45.57 76.98 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-O 122.368 1.08 . . . . 1.0 109.067 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 64.7 mmm -68.64 -26.64 65.43 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.79 0.805 . . . . 1.0 110.618 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 122.307 1.051 . . . . 1.0 110.018 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -70.95 -31.2 67.71 Favored 'General case' 0 C--N 1.384 2.097 0 CA-C-N 115.043 -0.98 . . . . 1.0 112.813 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.5 -30.05 61.66 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.758 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 74.56 46.86 0.14 Allowed 'General case' 0 C--N 1.376 1.721 0 CA-C-O 123.646 1.688 . . . . 1.0 112.607 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.1 157.18 78.83 Favored Pre-proline 0 C--N 1.386 2.193 0 CA-C-N 113.834 -1.53 . . . . 1.0 108.735 166.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -74.18 154.47 46.74 Favored 'Trans proline' 0 C--N 1.381 2.28 0 CA-C-O 124.345 1.727 . . . . 1.0 109.682 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.3 m -62.77 -35.37 79.6 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 117.831 -1.548 . . . . 1.0 114.52 -153.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.433 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 21.2 t0 -74.71 -30.1 61.41 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-O 122.784 1.278 . . . . 1.0 110.579 -177.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.9 -22.4 64.17 Favored 'General case' 0 C--N 1.385 2.136 0 C-N-CA 118.942 -1.103 . . . . 1.0 111.707 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.5 mt -77.0 -48.34 25.43 Favored 'Isoleucine or valine' 0 C--N 1.38 1.899 0 N-CA-C 108.173 -1.047 . . . . 1.0 108.173 168.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.496 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 38.6 t70 -62.59 -39.89 95.16 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-O 122.941 1.353 . . . . 1.0 110.05 -166.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' NZ ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -80.11 16.95 1.09 Allowed 'General case' 0 C--N 1.378 1.815 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.26 13.13 4.22 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 114.789 1.403 . . . . 1.0 114.789 158.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 29' ' ' ASP . 63.4 mtt180 -73.53 142.16 46.71 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-O 124.881 2.276 . . . . 1.0 111.005 173.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.78 98.02 11.53 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 104.371 -2.455 . . . . 1.0 104.371 -65.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.59 157.41 36.72 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 124.628 2.156 . . . . 1.0 110.423 -171.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.532 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 6.7 mtpm? -79.35 86.42 5.08 Favored 'General case' 0 C--N 1.384 2.079 0 N-CA-C 106.166 -1.79 . . . . 1.0 106.166 172.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.424 ' HB ' HD12 ' A' ' 8' ' ' ILE . 79.1 mt -72.38 137.53 23.34 Favored 'Isoleucine or valine' 0 C--N 1.38 1.896 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.55 148.2 10.3 Favored 'Isoleucine or valine' 0 C--N 1.376 1.753 0 N-CA-C 104.231 -2.507 . . . . 1.0 104.231 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.44 150.33 47.54 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-O 123.025 1.393 . . . . 1.0 111.233 -178.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -124.17 151.03 44.51 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 106.363 -1.718 . . . . 1.0 106.363 176.526 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.64 133.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.371 1.542 0 CA-C-N 113.968 -1.469 . . . . 1.0 108.416 164.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 44.3 tttm -118.27 142.98 46.93 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 113.721 -1.582 . . . . 1.0 106.865 167.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -94.55 145.75 24.59 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-N 114.569 -1.196 . . . . 1.0 108.272 166.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.572 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 34.4 m-20 -145.5 51.84 1.19 Allowed 'General case' 0 C--N 1.375 1.69 0 CA-C-O 124.415 2.055 . . . . 1.0 106.246 -163.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.98 36.77 56.94 Favored Glycine 0 C--N 1.388 3.471 0 C-N-CA 118.347 -1.882 . . . . 1.0 112.677 163.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 96.62 -19.99 0.05 Allowed 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.22 1.808 . . . . 1.0 111.635 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -79.22 155.69 28.49 Favored 'General case' 0 C--N 1.38 1.917 0 N-CA-C 107.357 -1.349 . . . . 1.0 107.357 156.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.433 ' CE1' HD12 ' A' ' 65' ' ' ILE . 7.5 m-85 -131.86 135.15 46.47 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 104.677 -2.342 . . . . 1.0 104.677 173.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.0 m -113.71 103.82 11.61 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 105.532 -2.025 . . . . 1.0 105.532 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -100.57 157.89 16.33 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 124.271 1.986 . . . . 1.0 108.901 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -157.23 149.4 22.76 Favored 'General case' 0 C--N 1.374 1.633 0 O-C-N 120.26 -1.525 . . . . 1.0 111.427 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -120.78 128.46 52.91 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 104.674 -2.343 . . . . 1.0 104.674 166.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.75 129.56 34.82 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-O 122.442 1.115 . . . . 1.0 108.785 168.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -95.4 126.46 45.82 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 105.729 -1.952 . . . . 1.0 105.729 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -71.73 62.11 3.01 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.027 1.818 . . . . 1.0 114.514 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.12 34.17 0.09 OUTLIER Glycine 0 C--N 1.379 2.955 0 CA-C-O 123.371 1.539 . . . . 1.0 111.006 -168.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.89 23.73 40.73 Favored Glycine 0 C--N 1.385 3.293 0 C-N-CA 119.72 -1.229 . . . . 1.0 114.488 162.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.95 162.99 34.53 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 123.728 1.728 . . . . 1.0 110.566 166.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 p -109.68 159.64 16.97 Favored 'General case' 0 C--N 1.371 1.513 0 CA-C-N 113.598 -1.637 . . . . 1.0 108.076 160.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.85 99.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 N-CA-C 101.891 -3.374 . . . . 1.0 101.891 158.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.8 m -105.01 148.69 26.47 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-N 114.297 -1.32 . . . . 1.0 107.641 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.84 142.79 15.34 Favored 'General case' 0 C--N 1.374 1.645 0 N-CA-C 108.769 -0.826 . . . . 1.0 108.769 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -112.04 144.05 42.03 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 162.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -146.97 155.26 42.12 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-O 122.786 1.279 . . . . 1.0 109.121 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -115.3 120.76 40.72 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 122.871 1.319 . . . . 1.0 107.668 -176.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.433 HD12 ' CE1' ' A' ' 47' ' ' PHE . 3.0 mt -75.28 139.14 19.56 Favored 'Isoleucine or valine' 0 C--N 1.375 1.701 0 CA-C-O 122.966 1.365 . . . . 1.0 110.117 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.59 42.37 Favored Glycine 0 C--N 1.381 3.048 0 CA-C-N 113.998 -1.455 . . . . 1.0 115.666 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.483 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 8.2 ptmm? -152.94 -174.97 5.12 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 122.379 1.085 . . . . 1.0 109.263 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -84.27 154.83 22.74 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 123.359 1.552 . . . . 1.0 109.498 161.335 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.8 m -130.59 157.6 42.27 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 106.329 -1.73 . . . . 1.0 106.329 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.58 149.48 24.91 Favored 'General case' 0 C--N 1.372 1.582 0 N-CA-C 106.022 -1.844 . . . . 1.0 106.022 171.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.4 mm -142.15 144.79 24.69 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 N-CA-C 107.151 -1.426 . . . . 1.0 107.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.94 64.18 0.58 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-O 125.317 2.484 . . . . 1.0 111.593 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.9 p -137.5 169.78 17.2 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-N 113.022 -1.899 . . . . 1.0 110.123 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm 65.87 57.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 CA-C-O 123.859 1.79 . . . . 1.0 108.272 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.25 -25.99 1.4 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 114.063 -1.426 . . . . 1.0 113.254 166.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.74 45.55 6.73 Favored Glycine 0 C--N 1.383 3.165 0 CA-C-O 123.267 1.481 . . . . 1.0 110.078 -165.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -134.99 158.72 43.61 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 107.265 -1.383 . . . . 1.0 107.265 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -94.84 151.9 18.85 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 114.39 -1.277 . . . . 1.0 108.052 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.64 156.14 38.67 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.32 1.534 . . . . 1.0 107.231 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -108.22 158.83 17.11 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 106.727 -1.582 . . . . 1.0 106.727 162.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.77 137.3 21.21 Favored 'General case' 0 C--N 1.371 1.528 0 CA-C-N 115.18 -0.918 . . . . 1.0 109.402 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.69 148.96 22.99 Favored 'General case' 0 C--N 1.378 1.833 0 N-CA-C 107.469 -1.308 . . . . 1.0 107.469 167.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -155.45 137.65 6.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 123.531 1.634 . . . . 1.0 110.232 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -158.05 158.96 35.77 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 123.212 1.482 . . . . 1.0 111.276 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 ttt -95.9 157.76 15.75 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.426 -1.715 . . . . 1.0 107.982 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.339 0.9 OUTLIER -147.42 -149.9 0.31 Allowed 'General case' 0 C--N 1.368 1.388 0 CA-C-N 113.558 -1.656 . . . . 1.0 106.822 172.4 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.61 70.24 1.14 Allowed Glycine 0 C--N 1.363 2.082 0 N-CA-C 117.08 1.592 . . . . 1.0 117.08 -161.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.35 23.43 43.94 Favored Glycine 0 C--N 1.382 3.102 0 CA-C-O 122.759 1.199 . . . . 1.0 112.852 -175.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.26 147.35 26.26 Favored 'General case' 0 C--N 1.378 1.823 0 N-CA-C 107.25 -1.389 . . . . 1.0 107.25 -159.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.5 t -113.05 138.85 41.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.455 0 N-CA-C 106.485 -1.672 . . . . 1.0 106.485 172.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.5 m -117.62 136.79 53.65 Favored 'Isoleucine or valine' 0 C--N 1.379 1.863 0 N-CA-C 107.909 -1.145 . . . . 1.0 107.909 167.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 t -112.31 148.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 N-CA-C 104.138 -2.541 . . . . 1.0 104.138 165.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.01 148.3 32.57 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 105.21 -2.144 . . . . 1.0 105.21 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.4 p -165.4 175.36 2.48 Favored Pre-proline 0 C--N 1.366 1.286 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -174.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -71.37 40.86 0.4 Allowed 'Trans proline' 0 C--N 1.379 2.161 0 N-CA-C 117.838 2.207 . . . . 1.0 117.838 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . 0.268 49.3 p30 161.18 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.379 1.883 0 C-N-CA 125.115 1.366 . . . . 1.0 110.821 158.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -103.09 94.46 5.55 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 106.523 -1.658 . . . . 1.0 106.523 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.58 146.8 26.72 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.273 -1.751 . . . . 1.0 106.273 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -141.78 159.19 42.72 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 123.678 1.704 . . . . 1.0 107.498 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.8 138.59 13.1 Favored 'General case' 0 C--N 1.362 1.126 0 N-CA-C 103.476 -2.787 . . . . 1.0 103.476 -172.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.64 142.52 29.12 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 108.17 -1.048 . . . . 1.0 108.17 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.28 139.19 10.56 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.934 1.349 . . . . 1.0 110.558 -161.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 mm -99.61 124.93 53.27 Favored 'Isoleucine or valine' 0 C--N 1.381 1.969 0 CA-C-N 113.88 -1.509 . . . . 1.0 108.308 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.71 133.87 42.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 104.722 -2.325 . . . . 1.0 104.722 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.546 ' OD1' ' NZ ' ' A' ' 124' ' ' LYS 0.321 1.1 p30 58.98 17.36 5.33 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 124.56 2.124 . . . . 1.0 116.473 172.012 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.28 -2.67 56.25 Favored Glycine 0 C--N 1.385 3.256 0 O-C-N 120.516 -1.365 . . . . 1.0 114.598 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 154.41 41.77 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 106.69 -1.596 . . . . 1.0 106.69 159.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -123.97 96.68 5.04 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 102.45 -3.167 . . . . 1.0 102.45 169.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.32 141.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.375 1.676 0 N-CA-C 105.487 -2.042 . . . . 1.0 105.487 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -119.73 154.15 34.58 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 122.752 1.263 . . . . 1.0 108.563 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.0 107.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.778 0 N-CA-C 105.964 -1.865 . . . . 1.0 105.964 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.69 162.76 17.74 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 124.118 1.914 . . . . 1.0 111.578 158.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 144.68 38.39 Favored 'General case' 0 C--N 1.375 1.704 0 CA-C-N 112.605 -2.089 . . . . 1.0 105.445 166.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.57 48.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 125.795 2.712 . . . . 1.0 107.921 -171.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.72 -94.04 1.41 Allowed Glycine 0 C--N 1.378 2.891 0 CA-C-N 111.928 -2.396 . . . . 1.0 108.434 -175.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.61 12.49 66.14 Favored Glycine 0 C--N 1.377 2.845 0 N-CA-C 116.414 1.325 . . . . 1.0 116.414 -170.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.97 145.25 24.3 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 N-CA-C 107.375 -1.342 . . . . 1.0 107.375 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 163.45 13.69 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-O 122.614 1.197 . . . . 1.0 108.867 165.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -143.04 86.21 1.91 Allowed 'General case' 0 C--N 1.369 1.433 0 N-CA-C 106.518 -1.66 . . . . 1.0 106.518 162.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 12' ' ' LYS . 19.4 pm0 -79.27 146.79 32.81 Favored 'General case' 0 C--N 1.367 1.367 0 CA-C-N 112.124 -2.307 . . . . 1.0 109.93 168.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.73 134.35 10.83 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 112.819 -1.992 . . . . 1.0 106.115 -171.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.66 117.6 54.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.447 0 N-CA-C 106.613 -1.625 . . . . 1.0 106.613 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.41 160.61 22.73 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 122.515 1.15 . . . . 1.0 109.113 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.546 ' NZ ' ' OD1' ' A' ' 105' ' ' ASP . 16.9 tppt? -146.86 142.78 28.02 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-O 123.49 1.614 . . . . 1.0 109.205 -170.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -82.77 80.61 8.81 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.557 1.646 . . . . 1.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.7 mt -83.47 44.62 0.98 Allowed 'General case' 0 C--N 1.371 1.501 0 CA-C-O 125.819 2.724 . . . . 1.0 110.9 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.375 1.711 0 CA-C-N 112.776 -2.011 . . . . 1.0 111.257 169.214 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.63 0.728 . . . . 0.57 111.372 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.7 m -69.17 154.57 41.83 Favored 'General case' 0 C--N 1.37 1.496 0 CA-C-O 122.819 1.295 . . . . 0.57 110.583 -167.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.32 177.39 20.06 Favored Glycine 0 C--N 1.38 2.98 0 CA-C-O 123.699 1.721 . . . . 0.57 115.093 168.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.2 tttp -101.68 112.87 25.59 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 104.5 -2.407 . . . . 0.57 104.5 169.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.97 141.3 42.93 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 107.869 -1.16 . . . . 0.57 107.869 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -101.73 160.45 14.45 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 107.308 -1.368 . . . . 0.91 107.308 168.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.44 129.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.375 1.686 0 CA-C-O 123.333 1.54 . . . . 0.57 107.807 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.7 -43.86 16.35 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 107.29 -1.374 . . . . 0.91 107.29 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -176.73 162.56 2.2 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-O 122.715 1.245 . . . . 0.57 111.321 175.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' OE2' ' NH1' ' A' ' 121' ' ' ARG . 61.3 mt-10 -141.81 160.66 39.73 Favored 'General case' 0 C--N 1.378 1.845 0 N-CA-C 106.335 -1.728 . . . . 0.91 106.335 174.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.76 19.69 0.46 Allowed 'General case' 0 C--N 1.385 2.121 0 N-CA-C 115.32 1.6 . . . . 0.57 115.32 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.23 18.43 0.29 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 117.21 -1.796 . . . . 0.57 114.309 -176.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -44.43 65.36 Favored 'General case' 0 C--N 1.381 1.939 0 CA-C-O 123.024 1.393 . . . . 0.57 110.547 -161.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.78 -48.05 83.55 Favored 'General case' 0 C--N 1.379 1.889 0 CA-C-O 122.753 1.263 . . . . 0.91 108.442 -161.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -69.85 -27.13 64.59 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 114.433 -1.258 . . . . 0.91 112.965 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -66.4 -36.68 83.46 Favored 'General case' 0 C--N 1.37 1.484 0 CA-C-O 122.594 1.188 . . . . 0.57 109.586 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.9 mmm -65.53 -30.88 71.69 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.732 1.254 . . . . 0.57 110.029 -171.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -72.3 -30.93 65.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 114.571 -1.195 . . . . 0.57 111.057 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -76.33 -26.77 56.12 Favored 'General case' 0 C--N 1.384 2.093 0 CA-C-O 122.797 1.284 . . . . 1.2 111.552 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.3 mt -78.91 -29.39 44.23 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.872 -1.058 . . . . 0.57 111.728 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.646 0 CA-C-O 123.27 1.509 . . . . 0.57 110.625 -171.673 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.539 0.532 0 CA-C-O 120.738 0.304 . . . . 0.57 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 30' ' ' LYS . 31.5 p-10 -69.58 -47.48 63.45 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-O 122.07 0.938 . . . . 0.91 111.089 172.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 29.9 mttp -89.1 3.76 50.71 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 119.374 -0.93 . . . . 0.57 111.721 -159.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.91 5.01 49.45 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 113.819 1.044 . . . . 0.57 113.819 164.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.81 79.09 1.59 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.771 1.748 . . . . 1.2 112.147 -168.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 83.51 36.29 0.04 OUTLIER 'General case' 0 C--N 1.376 1.729 0 CA-C-N 113.067 -1.878 . . . . 0.57 111.272 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 mt -78.28 154.73 30.69 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 124.041 1.877 . . . . 0.57 110.688 167.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -85.82 93.99 9.03 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 104.479 -2.415 . . . . 0.57 104.479 159.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -73.75 152.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 N-CA-C 105.799 -1.926 . . . . 0.57 105.799 171.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.13 120.93 61.76 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 N-CA-C 105.78 -1.933 . . . . 0.57 105.78 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -92.09 114.86 27.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 107.283 -1.377 . . . . 0.57 107.283 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 11.2 mm-40 -94.86 143.68 26.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 105.79 -1.93 . . . . 0.91 105.79 171.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -143.71 93.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 106.236 -1.764 . . . . 0.57 106.236 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 1.4 tmmt? -90.35 122.55 33.33 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 105.188 -2.153 . . . . 0.57 105.188 163.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -96.63 136.73 36.75 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 105.102 -2.184 . . . . 0.57 105.102 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.456 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.8 m-20 -100.39 -31.19 11.44 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-O 123.188 1.47 . . . . 0.91 108.306 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.59 -96.05 0.11 Allowed Glycine 0 C--N 1.382 3.133 0 N-CA-C 106.511 -2.636 . . . . 0.57 106.511 168.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -82.28 -19.5 39.4 Favored 'General case' 0 C--N 1.378 1.826 0 CA-C-O 123.121 1.439 . . . . 0.57 109.201 162.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -89.65 157.43 18.02 Favored 'General case' 0 C--N 1.382 2.016 0 N-CA-C 107.091 -1.448 . . . . 0.57 107.091 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -139.62 152.9 47.16 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-N 114.059 -1.428 . . . . 0.57 107.728 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.7 m -132.14 86.73 2.36 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 104.852 -2.277 . . . . 0.57 104.852 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -84.81 156.35 21.39 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 113.063 -1.881 . . . . 0.57 107.446 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -151.49 143.84 24.11 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-N 114.859 -1.064 . . . . 0.57 109.053 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -114.51 98.95 7.2 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 105.413 -2.069 . . . . 0.57 105.413 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -92.34 153.61 19.09 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 124.203 1.954 . . . . 0.57 109.551 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -156.24 93.68 2.46 Favored Pre-proline 0 C--N 1.379 1.854 0 N-CA-C 105.221 -2.14 . . . . 0.57 105.221 -142.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -77.09 64.61 7.82 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-O 124.498 1.791 . . . . 0.57 112.034 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.37 18.7 0.61 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 112.994 -1.912 . . . . 0.57 111.027 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.4 11.09 64.88 Favored Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.541 1.078 . . . . 0.57 114.292 168.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -134.62 179.57 6.21 Favored 'General case' 0 C--N 1.373 1.627 0 N-CA-C 105.533 -2.025 . . . . 0.57 105.533 171.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -177.38 162.65 1.92 Allowed 'General case' 0 C--N 1.365 1.281 0 N-CA-C 106.314 -1.736 . . . . 0.57 106.314 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.3 mt -139.2 100.49 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.675 0 N-CA-C 108.409 -0.959 . . . . 0.57 108.409 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.9 m -89.1 158.87 17.8 Favored 'General case' 0 C--N 1.375 1.701 0 CA-C-O 122.353 1.073 . . . . 0.57 108.21 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -159.31 116.9 2.74 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-O 122.031 0.92 . . . . 0.57 108.629 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.0 m -92.0 136.79 32.89 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 106.025 -1.843 . . . . 0.57 106.025 167.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -148.68 169.61 20.01 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-O 123.057 1.408 . . . . 0.57 110.039 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.6 m -131.69 137.78 48.43 Favored 'General case' 0 C--N 1.379 1.88 0 CA-C-N 114.952 -1.022 . . . . 0.57 108.634 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -85.77 141.19 14.83 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 122.759 1.266 . . . . 0.57 109.655 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.55 38.06 15.47 Favored Glycine 0 C--N 1.383 3.157 0 CA-C-N 114.226 -1.352 . . . . 0.57 112.164 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.0 tttm -160.39 166.68 28.88 Favored 'General case' 0 C--N 1.376 1.731 0 N-CA-C 107.106 -1.442 . . . . 0.57 107.106 -170.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -87.26 150.14 24.09 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.444 1.592 . . . . 0.91 109.005 153.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -125.53 156.88 38.34 Favored 'General case' 0 C--N 1.37 1.476 0 N-CA-C 106.652 -1.611 . . . . 0.57 106.652 166.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.82 148.4 22.55 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 105.627 -1.99 . . . . 0.91 105.627 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.1 mm -145.33 133.07 16.11 Favored 'Isoleucine or valine' 0 C--N 1.374 1.671 0 CA-C-O 122.874 1.321 . . . . 0.57 108.011 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 78' ' ' LYS . 33.7 mp0 -128.36 174.37 9.38 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 125.146 2.403 . . . . 0.91 108.034 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.5 p 84.91 -45.84 0.08 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 113.768 -1.56 . . . . 0.57 114.469 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -78.47 83.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.771 0 CA-C-O 125.603 2.621 . . . . 0.57 107.266 -161.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.19 23.33 35.02 Favored Glycine 0 C--N 1.383 3.173 0 CA-C-N 112.037 -2.347 . . . . 0.57 113.456 -171.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.87 19.13 78.06 Favored Glycine 0 C--N 1.381 3.053 0 C-N-CA 119.504 -1.332 . . . . 0.57 115.811 159.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.76 171.29 7.5 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-O 122.791 1.281 . . . . 0.57 108.274 172.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 5.9 tmtm? -125.97 96.07 4.62 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 102.95 -2.982 . . . . 0.57 102.95 169.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -101.14 155.26 18.11 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.666 1.222 . . . . 0.57 109.457 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -98.11 162.7 13.08 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-O 122.972 1.368 . . . . 0.57 107.555 148.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.47 142.63 28.29 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-N 113.707 -1.588 . . . . 0.57 107.976 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.85 142.69 33.39 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 107.299 -1.371 . . . . 0.57 107.299 167.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -137.54 130.24 42.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 CA-C-O 124.253 1.978 . . . . 0.57 105.888 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -153.51 165.8 34.72 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 124.241 1.972 . . . . 0.57 109.233 -153.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 ttt -114.29 119.74 38.03 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 103.785 -2.672 . . . . 0.57 103.785 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.68 -176.47 6.08 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 104.108 -2.553 . . . . 0.91 104.108 162.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.86 88.44 0.38 Allowed Glycine 0 C--N 1.377 2.814 0 O-C-N 120.145 -1.597 . . . . 0.57 113.08 -164.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.74 17.34 Favored Glycine 0 C--N 1.377 2.849 0 CA-C-N 114.049 -1.076 . . . . 0.57 115.128 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -99.19 147.28 25.28 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 122.122 0.963 . . . . 0.57 109.219 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.8 t -80.46 161.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.48 0 N-CA-C 106.627 -1.62 . . . . 0.57 106.627 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.9 p -160.26 140.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.525 1.631 . . . . 0.57 111.702 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.5 t -108.73 140.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 N-CA-C 106.256 -1.757 . . . . 0.57 106.256 162.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -141.69 130.53 22.99 Favored 'General case' 0 C--N 1.373 1.626 0 N-CA-C 106.741 -1.578 . . . . 0.57 106.741 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.2 p -159.13 175.39 3.27 Favored Pre-proline 0 C--N 1.372 1.552 0 CA-C-O 121.651 0.738 . . . . 0.57 110.371 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -64.04 116.75 3.89 Favored 'Trans proline' 0 C--N 1.381 2.284 0 CA-C-O 123.674 1.448 . . . . 0.57 111.768 -174.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 72.87 35.52 1.0 Allowed 'General case' 0 C--N 1.385 2.116 0 CA-C-N 113.607 -1.633 . . . . 0.57 111.073 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -167.09 119.79 0.95 Allowed 'General case' 0 C--N 1.39 2.331 0 CA-C-O 122.668 1.223 . . . . 0.57 111.681 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -120.4 148.25 44.02 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.117 -2.179 . . . . 0.57 105.117 167.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.501 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 22.3 t60 -155.3 92.12 1.39 Allowed 'General case' 0 C--N 1.376 1.737 0 N-CA-C 107.424 -1.324 . . . . 0.57 107.424 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.7 p -80.6 164.34 22.98 Favored 'General case' 0 C--N 1.373 1.607 0 CA-C-O 123.475 1.607 . . . . 0.57 110.17 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -152.2 88.05 1.36 Allowed 'General case' 0 C--N 1.376 1.724 0 CA-C-N 113.233 -1.803 . . . . 0.57 106.26 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 7.3 tp10 -97.2 159.64 14.8 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.314 1.846 . . . . 0.91 109.964 -174.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 mm -107.62 139.01 31.05 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 123.609 1.671 . . . . 0.57 109.411 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.7 p -151.15 149.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.926 0 N-CA-C 107.056 -1.461 . . . . 0.57 107.056 163.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . 0.387 1.0 OUTLIER 57.79 14.02 2.3 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 116.624 2.083 . . . . 0.91 116.624 175.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.33 -11.0 59.69 Favored Glycine 0 C--N 1.386 3.323 0 CA-C-N 114.238 -1.346 . . . . 0.57 115.206 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -82.28 166.12 19.81 Favored 'General case' 0 C--N 1.372 1.551 0 CA-C-O 123.569 1.652 . . . . 0.57 110.979 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.29 141.23 28.67 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-N 112.619 -2.082 . . . . 0.57 107.16 166.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.3 t -117.24 121.35 67.47 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 N-CA-C 104.009 -2.589 . . . . 0.57 104.009 161.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.501 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 45.1 mt-10 -100.33 151.88 20.98 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 118.474 -1.29 . . . . 0.91 108.136 165.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.8 t -134.57 112.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 N-CA-C 105.544 -2.021 . . . . 0.57 105.544 163.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 m -93.08 151.44 19.86 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.602 -1.181 . . . . 0.57 109.184 166.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 m -147.07 123.35 10.91 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 105.33 -2.1 . . . . 0.57 105.33 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.87 -178.7 2.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.487 0 N-CA-C 106.026 -1.842 . . . . 0.57 106.026 -175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.75 97.24 0.24 Allowed Glycine 0 C--N 1.375 2.733 0 CA-C-O 123.793 1.774 . . . . 0.57 112.394 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.06 4.26 72.07 Favored Glycine 0 C--N 1.378 2.9 0 CA-C-N 112.925 -1.638 . . . . 0.57 117.105 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 83.8 t -141.83 150.95 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 106.752 -1.573 . . . . 0.57 106.752 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.8 m -121.89 163.29 19.49 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 122.427 1.108 . . . . 0.57 108.848 160.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -152.68 98.56 2.36 Favored 'General case' 0 C--N 1.367 1.326 0 N-CA-C 105.909 -1.885 . . . . 0.57 105.909 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 154.35 19.89 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 124.903 2.287 . . . . 0.91 110.889 170.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.404 ' NH1' ' OE2' ' A' ' 11' ' ' GLU . 13.8 ttm-85 -140.06 144.87 37.08 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 110.928 -2.851 . . . . 1.2 104.423 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.51 120.31 57.44 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 N-CA-C 105.99 -1.855 . . . . 0.57 105.99 168.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.0 m -122.02 113.01 18.96 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 114.814 -1.085 . . . . 0.57 108.211 -174.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -80.01 137.92 36.93 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 122.741 1.258 . . . . 0.57 112.096 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -91.69 123.45 35.09 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.429 -1.693 . . . . 0.57 106.429 165.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 23.62 0.45 Allowed 'General case' 0 C--N 1.375 1.676 0 CA-C-O 123.323 1.535 . . . . 0.57 112.039 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.379 1.851 0 CA-C-O 126.404 3.002 . . . . 0.66 108.197 176.714 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 CA--C 1.547 0.865 0 CA-C-O 124.354 2.026 . . . . 0.57 110.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 t -151.8 170.98 18.46 Favored 'General case' 0 C--N 1.381 1.978 0 CA-C-O 122.732 1.253 . . . . 0.57 109.209 159.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.48 -177.16 30.3 Favored Glycine 0 C--N 1.375 2.709 0 CA-C-O 123.877 1.821 . . . . 0.57 114.812 -162.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' NZ ' ' OE1' ' A' ' 39' ' ' GLU . 15.2 mttp -72.63 167.57 20.47 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 118.542 -2.74 . . . . 0.57 104.858 -29.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -128.39 160.7 31.41 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 105.345 -2.095 . . . . 0.57 105.345 159.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.458 ' OE1' ' NZ ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -145.02 144.43 31.0 Favored 'General case' 0 C--N 1.365 1.271 0 N-CA-C 104.796 -2.298 . . . . 0.91 104.796 -172.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.47 130.71 35.95 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 CA-C-O 124.558 2.123 . . . . 0.57 110.611 -169.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.483 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 32.2 tt0 -89.65 -44.08 10.3 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-N 112.738 -2.028 . . . . 0.91 107.057 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -173.41 154.6 2.64 Favored 'General case' 0 C--N 1.38 1.905 0 CA-C-O 122.439 1.114 . . . . 0.57 110.51 170.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -123.45 122.48 38.35 Favored 'General case' 0 C--N 1.376 1.73 0 N-CA-C 104.743 -2.317 . . . . 0.91 104.743 169.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -2.07 26.77 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 114.761 1.393 . . . . 0.57 114.761 -165.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.13 24.19 0.83 Allowed 'General case' 0 C--N 1.384 2.068 0 CA-C-O 123.348 1.547 . . . . 0.57 112.162 -167.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -66.28 -40.79 90.3 Favored 'General case' 0 C--N 1.38 1.923 0 CA-C-O 122.89 1.328 . . . . 0.57 109.736 -169.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.53 -45.77 74.74 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 123.207 1.48 . . . . 0.91 108.104 -166.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -38.49 91.21 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-N 113.241 -1.799 . . . . 0.91 109.909 -176.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -69.19 -39.04 78.91 Favored 'General case' 0 C--N 1.379 1.852 0 CA-C-O 123.22 1.486 . . . . 0.57 109.303 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 77.3 mmm -69.08 -25.43 64.43 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 121.067 -1.021 . . . . 0.57 111.697 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.68 -30.01 67.58 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-O 121.566 0.698 . . . . 0.57 110.655 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -73.01 -35.02 66.72 Favored 'General case' 0 C--N 1.381 1.954 0 CA-C-O 121.872 0.844 . . . . 1.2 111.906 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 74' ' ' ILE . 41.2 mt -76.58 -15.57 59.82 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 115.77 -0.65 . . . . 0.57 111.699 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.651 0 C-N-CA 126.909 2.084 . . . . 0.57 113.532 172.174 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 123.142 1.449 . . . . 0.57 107.829 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' OD2' ' NH1' ' A' ' 32' ' ' ARG . 1.6 m-20 -71.49 -16.87 62.37 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 114.956 -1.02 . . . . 0.91 110.401 -168.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -96.82 31.44 2.35 Favored 'General case' 0 C--N 1.378 1.834 0 CA-C-O 123.069 1.414 . . . . 0.57 111.885 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.49 -1.54 0.27 Allowed 'General case' 0 C--N 1.381 1.938 0 CA-C-N 114.927 -1.033 . . . . 0.57 113.714 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.471 ' NH1' ' OD2' ' A' ' 29' ' ' ASP . 37.0 mtt85 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-O 123.34 1.543 . . . . 1.2 109.668 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 68.68 19.05 8.65 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.755 -1.566 . . . . 0.57 112.634 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -91.35 155.86 18.19 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 123.705 1.717 . . . . 0.57 107.86 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' NZ ' ' OE1' ' A' ' 7' ' ' GLU . 15.0 mttm -96.29 103.98 15.92 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.275 -2.12 . . . . 0.57 105.275 165.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.32 109.87 13.43 Favored 'Isoleucine or valine' 0 C--N 1.376 1.721 0 N-CA-C 105.083 -2.191 . . . . 0.57 105.083 170.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.05 145.25 9.76 Favored 'Isoleucine or valine' 0 C--N 1.379 1.855 0 N-CA-C 104.607 -2.368 . . . . 0.57 104.607 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -124.0 150.02 45.35 Favored 'General case' 0 C--N 1.374 1.635 0 CA-C-O 123.268 1.509 . . . . 0.57 110.818 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' OE1' ' NZ ' ' A' ' 5' ' ' LYS . 6.5 mm-40 -142.39 103.54 4.28 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 104.243 -2.503 . . . . 0.91 104.243 -165.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.53 158.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 105.841 -1.911 . . . . 0.57 105.841 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 0.9 OUTLIER -161.25 121.19 2.64 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 106.13 -1.804 . . . . 0.57 106.13 165.338 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -85.12 130.55 34.59 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.413 -1.699 . . . . 0.57 106.413 169.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 41.8 m-20 -89.07 -36.21 15.89 Favored 'General case' 0 C--N 1.379 1.879 0 CA-C-O 123.474 1.607 . . . . 0.91 108.247 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.23 -95.13 0.1 OUTLIER Glycine 0 C--N 1.385 3.251 0 N-CA-C 106.37 -2.692 . . . . 0.57 106.37 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -94.8 -6.63 42.49 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 122.622 1.201 . . . . 0.57 110.646 162.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.45 157.16 16.14 Favored 'General case' 0 C--N 1.38 1.905 0 N-CA-C 106.407 -1.701 . . . . 0.57 106.407 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -139.05 145.78 40.0 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-O 123.677 1.703 . . . . 0.57 109.196 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 142.07 47.18 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 106.443 -1.688 . . . . 0.57 106.443 164.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -149.69 130.59 14.27 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 107.505 -1.294 . . . . 0.57 107.505 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m -148.19 154.32 39.95 Favored 'General case' 0 C--N 1.373 1.622 0 CA-C-O 123.722 1.725 . . . . 0.57 109.109 -175.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -139.07 149.42 44.56 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.468 -1.242 . . . . 0.57 108.266 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -105.35 129.69 53.63 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 122.478 1.133 . . . . 0.57 108.909 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -100.91 130.49 25.07 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 102.739 -3.06 . . . . 0.57 102.739 162.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.79 89.55 1.29 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 121.623 1.549 . . . . 0.57 108.865 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.64 32.93 0.27 Allowed Glycine 0 C--N 1.383 3.183 0 CA-C-N 113.445 -1.707 . . . . 0.57 115.238 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.26 34.3 14.82 Favored Glycine 0 C--N 1.383 3.15 0 C-N-CA 119.633 -1.27 . . . . 0.57 114.08 155.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -141.42 52.74 1.54 Allowed 'General case' 0 C--N 1.374 1.655 0 CA-C-O 123.272 1.511 . . . . 0.57 107.115 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 p -69.97 145.75 51.62 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-N 113.248 -1.796 . . . . 0.57 109.735 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.406 HG23 HG21 ' A' ' 73' ' ' THR . 24.6 mm -96.09 149.86 4.55 Favored 'Isoleucine or valine' 0 C--N 1.377 1.793 0 N-CA-C 105.1 -2.185 . . . . 0.57 105.1 175.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -155.66 144.16 20.26 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.964 -1.495 . . . . 0.57 106.964 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 143.34 14.84 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.753 -1.573 . . . . 0.57 106.753 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.4 m -116.33 143.25 45.79 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 105.317 -2.105 . . . . 0.57 105.317 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -157.67 155.6 30.29 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-O 123.353 1.549 . . . . 0.57 110.084 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -108.96 141.24 41.33 Favored 'General case' 0 C--N 1.374 1.646 0 N-CA-C 107.056 -1.461 . . . . 0.57 107.056 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.9 mm -83.03 142.23 13.84 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 CA-C-O 122.808 1.289 . . . . 0.57 109.285 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.69 31.56 Favored Glycine 0 C--N 1.377 2.831 0 CA-C-N 113.499 -1.682 . . . . 0.57 114.908 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -156.08 -160.68 1.03 Allowed 'General case' 0 C--N 1.376 1.73 0 CA-C-O 122.632 1.206 . . . . 0.57 109.165 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 169.14 18.76 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-O 123.274 1.511 . . . . 0.91 109.373 166.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -149.24 166.39 29.04 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 104.745 -2.317 . . . . 0.57 104.745 148.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.418 ' OD1' ' NZ ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -88.44 136.59 32.91 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 106.487 -1.671 . . . . 0.91 106.487 167.047 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.9 mm -143.32 145.2 22.82 Favored 'Isoleucine or valine' 0 C--N 1.377 1.787 0 N-CA-C 107.839 -1.171 . . . . 0.57 107.839 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 73' ' ' THR . 0.9 OUTLIER -169.07 154.67 6.18 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 107.709 -1.219 . . . . 0.91 107.709 174.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.416 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 15.3 t -173.71 24.49 0.01 OUTLIER 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.289 -1.323 . . . . 0.57 113.828 136.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.499 ' O ' HG22 ' A' ' 74' ' ' ILE . 31.3 mm -136.5 51.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.8 0 CA-C-O 123.823 1.773 . . . . 0.57 110.579 -175.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.6 51.08 1.06 Allowed Glycine 0 C--N 1.38 2.983 0 N-CA-C 117.657 1.823 . . . . 0.57 117.657 149.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.01 4.04 78.89 Favored Glycine 0 C--N 1.371 2.509 0 CA-C-O 122.615 1.119 . . . . 0.57 114.906 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 62.66 6.09 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-O 123.874 1.797 . . . . 0.57 107.765 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 76.82 10.0 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.041 -1.89 . . . . 0.57 107.465 -175.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -76.56 147.83 37.43 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 113.772 -1.558 . . . . 0.57 109.429 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 20.7 ttmm -86.19 129.49 34.83 Favored 'General case' 0 C--N 1.385 2.134 0 N-CA-C 103.694 -2.706 . . . . 0.57 103.694 145.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.71 158.21 39.23 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 114.365 -1.289 . . . . 0.57 108.291 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -88.23 145.99 25.59 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 114.564 -1.198 . . . . 0.57 108.22 172.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 p -149.28 129.86 4.45 Favored 'Isoleucine or valine' 0 C--N 1.376 1.741 0 CA-C-O 124.657 2.17 . . . . 0.57 108.459 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -163.57 164.0 24.35 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.951 -1.477 . . . . 0.57 108.869 -146.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.76 95.27 5.45 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 105.923 -1.881 . . . . 0.57 105.923 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -79.63 53.01 1.51 Allowed 'General case' 0 C--N 1.38 1.926 0 CA-C-O 123.351 1.548 . . . . 0.91 110.96 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.64 54.67 3.87 Favored Glycine 0 C--N 1.39 3.552 0 C-N-CA 118.898 -1.62 . . . . 0.57 114.156 157.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.31 -6.43 59.5 Favored Glycine 0 C--N 1.38 2.982 0 CA-C-O 123.032 1.351 . . . . 0.57 112.403 -173.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.51 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 35.8 mttm -119.03 135.53 54.58 Favored 'General case' 0 C--N 1.369 1.444 0 N-CA-C 105.654 -1.98 . . . . 0.57 105.654 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.07 156.64 4.52 Favored 'Isoleucine or valine' 0 C--N 1.367 1.368 0 N-CA-C 105.14 -2.17 . . . . 0.57 105.14 158.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -154.37 143.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 122.703 1.24 . . . . 0.57 110.791 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.49 137.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.382 1.989 0 N-CA-C 106.14 -1.8 . . . . 0.57 106.14 156.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -132.1 143.73 50.22 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-O 122.881 1.324 . . . . 0.57 108.42 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.25 169.8 9.88 Favored Pre-proline 0 C--N 1.372 1.573 0 N-CA-C 106.006 -1.849 . . . . 0.57 106.006 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.99 -27.88 85.88 Favored 'Trans proline' 0 C--N 1.382 2.329 0 N-CA-C 118.66 2.523 . . . . 0.57 118.66 -155.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -139.19 40.18 2.1 Favored 'General case' 0 C--N 1.373 1.599 0 CA-C-O 123.888 1.804 . . . . 0.57 110.228 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -156.85 96.6 1.63 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-N 112.814 -1.994 . . . . 0.57 107.773 -169.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.53 145.93 28.36 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.71 -1.959 . . . . 0.57 105.71 172.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.477 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 19.5 t60 -154.82 90.68 1.32 Allowed 'General case' 0 C--N 1.378 1.844 0 C-N-CA 119.725 -0.79 . . . . 0.57 108.892 -175.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.7 p -86.66 159.28 19.24 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 123.052 1.406 . . . . 0.57 111.134 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.96 129.56 18.04 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 113.727 -1.579 . . . . 0.57 106.871 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.51 ' OE1' ' NZ ' ' A' ' 89' ' ' LYS . 9.1 pt-20 -158.72 153.11 24.16 Favored 'General case' 0 C--N 1.373 1.605 0 CA-C-O 123.573 1.654 . . . . 0.91 111.431 -157.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.37 137.82 38.16 Favored 'Isoleucine or valine' 0 C--N 1.373 1.61 0 CA-C-N 114.421 -1.263 . . . . 0.57 108.813 -167.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . 0.28 20.2 t -124.24 -119.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.908 0 N-CA-C 106.442 -1.688 . . . . 0.57 106.442 170.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.483 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 13.0 p-10 -78.56 40.75 0.38 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 125.313 2.482 . . . . 0.91 111.404 -176.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 67.56 16.92 68.23 Favored Glycine 0 C--N 1.378 2.902 0 O-C-N 120.097 -1.627 . . . . 0.57 110.336 -169.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.483 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 47.4 mttm -74.22 140.64 45.2 Favored 'General case' 0 C--N 1.393 2.495 0 N-CA-C 104.993 -2.225 . . . . 0.57 104.993 146.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.03 102.73 14.56 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 101.184 -3.636 . . . . 0.57 101.184 155.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.6 151.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.372 1.554 0 N-CA-C 105.21 -2.144 . . . . 0.57 105.21 170.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.477 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 37.2 tt0 -147.53 142.0 26.44 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 105.841 -1.911 . . . . 0.91 105.841 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.3 t -140.27 104.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.632 0 N-CA-C 106.46 -1.682 . . . . 0.57 106.46 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.29 153.95 29.49 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 123.492 1.615 . . . . 0.57 107.508 159.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 15.6 m -153.83 107.42 2.97 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 105.77 -1.937 . . . . 0.57 105.77 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.3 159.16 2.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 CA-C-N 112.309 -2.223 . . . . 0.57 105.311 170.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.88 91.68 0.35 Allowed Glycine 0 C--N 1.373 2.622 0 N-CA-C 108.947 -1.661 . . . . 0.57 108.947 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.92 9.07 7.68 Favored Glycine 0 C--N 1.379 2.965 0 N-CA-C 116.692 1.437 . . . . 0.57 116.692 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -169.25 148.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.806 0 CA-C-O 122.547 1.165 . . . . 0.57 110.766 158.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 p -87.97 161.7 17.27 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.627 1.679 . . . . 0.57 109.273 164.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -152.68 86.37 1.26 Allowed 'General case' 0 C--N 1.373 1.625 0 N-CA-C 105.718 -1.956 . . . . 0.57 105.718 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -86.13 147.81 25.98 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 111.596 -2.547 . . . . 0.91 107.384 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -152.23 132.22 13.4 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 112.029 -2.351 . . . . 1.2 105.745 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.26 117.54 53.79 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 106.344 -1.724 . . . . 0.57 106.344 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.1 m -110.13 156.28 20.8 Favored 'General case' 0 C--N 1.377 1.782 0 CA-C-N 114.435 -1.257 . . . . 0.57 108.008 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.483 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 1.8 tmtm? -131.39 153.5 49.6 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 123.443 1.592 . . . . 0.57 107.32 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -84.21 70.03 10.51 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 124.074 1.892 . . . . 0.57 108.508 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.34 73.61 10.45 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 103.37 -2.826 . . . . 0.57 103.37 168.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.569 0 CA-C-N 111.766 -2.47 . . . . 0.66 112.316 -164.244 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 120.781 0.324 . . . . 1.0 111.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -74.67 160.72 30.44 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.516 1.627 . . . . 1.0 110.31 -175.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.49 14.94 Favored Glycine 0 C--N 1.372 2.529 0 CA-C-N 114.29 -1.323 . . . . 1.0 110.495 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.523 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.9 tttp -99.47 116.73 32.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 105.688 -1.967 . . . . 1.0 105.688 171.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -98.03 150.13 21.72 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 114.073 -1.421 . . . . 1.0 109.151 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.513 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 5.8 tt0 -107.7 152.87 23.74 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 113.166 -1.833 . . . . 1.0 106.157 159.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.91 130.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 N-CA-C 105.145 -2.169 . . . . 1.0 105.145 168.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.484 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 23.2 tt0 -82.23 -48.36 11.35 Favored 'General case' 0 C--N 1.376 1.747 0 N-CA-C 107.029 -1.471 . . . . 1.0 107.029 176.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -170.66 154.15 4.37 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-O 121.707 0.765 . . . . 1.0 109.378 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.35 153.24 42.11 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 105.741 -1.948 . . . . 1.0 105.741 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 120' ' ' GLU . 32.4 ttmt -98.68 -47.88 5.17 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 119.218 -0.993 . . . . 1.0 110.307 -177.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -125.47 37.97 4.27 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 124.496 2.093 . . . . 1.0 111.266 -155.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.08 -43.32 87.69 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 112.818 -1.992 . . . . 1.0 109.761 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.411 ' OD2' ' NE ' ' A' ' 32' ' ' ARG . 15.1 t70 -65.77 -51.92 55.16 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 122.449 1.119 . . . . 1.0 108.215 -165.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.3 -21.39 62.08 Favored 'General case' 0 C--N 1.382 2.009 0 CA-C-N 114.813 -1.085 . . . . 1.0 113.063 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 122.314 1.054 . . . . 1.0 108.502 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.4 mmm -66.0 -23.79 66.64 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 121.915 0.864 . . . . 1.0 110.23 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-O 122.91 1.338 . . . . 1.0 108.871 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -73.02 -15.07 61.53 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 122.329 1.062 . . . . 1.0 112.971 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 -5.27 59.2 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-N 115.358 -0.837 . . . . 1.0 112.873 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.629 0 CA-C-O 123.662 1.696 . . . . 1.0 110.252 169.773 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 CA--C 1.543 0.706 0 CA-C-O 121.688 0.756 . . . . 1.0 109.066 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.29 4.0 p30 -76.79 -9.97 59.05 Favored 'General case' 0 C--N 1.374 1.632 0 N-CA-C 115.078 1.51 . . . . 1.0 115.078 -167.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.41 -9.44 59.6 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 118.847 -1.141 . . . . 1.0 111.127 170.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.86 36.81 3.07 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 123.026 1.393 . . . . 1.0 112.719 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' NE ' ' OD2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -74.6 82.17 2.02 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 123.522 1.629 . . . . 1.0 109.21 171.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 88.98 29.8 0.02 OUTLIER 'General case' 0 C--N 1.379 1.887 0 CA-C-N 112.976 -1.92 . . . . 1.0 113.498 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -91.75 155.29 18.37 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 123.814 1.769 . . . . 1.0 110.878 164.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 7.6 mtpm? -88.74 107.17 18.81 Favored 'General case' 0 C--N 1.378 1.84 0 N-CA-C 104.183 -2.525 . . . . 1.0 104.183 168.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.17 146.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-O 123.61 1.671 . . . . 1.0 107.117 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.65 158.66 4.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 N-CA-C 106.068 -1.826 . . . . 1.0 106.068 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 141.07 25.08 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 121.439 -0.788 . . . . 1.0 109.656 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.523 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 5.2 mp0 -102.36 149.37 24.42 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 107.638 -1.245 . . . . 1.0 107.638 157.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -136.19 141.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 106.304 -1.739 . . . . 1.0 106.304 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 26.7 ttpp -141.06 142.09 34.2 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 106.546 -1.65 . . . . 1.0 106.546 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -112.88 98.19 7.03 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.6 m-20 -87.01 67.11 9.69 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-O 124.49 2.09 . . . . 1.0 106.237 -176.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.0 -111.86 4.06 Favored Glycine 0 C--N 1.381 3.059 0 CA-C-N 113.804 -1.543 . . . . 1.0 110.039 -170.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -95.15 -14.05 24.49 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.569 -1.316 . . . . 1.0 112.32 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -81.11 155.57 26.2 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 107.112 -1.44 . . . . 1.0 107.112 166.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -131.75 126.0 33.37 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 105.498 -2.038 . . . . 1.0 105.498 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.5 m -96.15 143.58 27.15 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 106.221 -1.77 . . . . 1.0 106.221 164.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -149.29 110.77 4.47 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 107.025 -1.472 . . . . 1.0 107.025 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 30.9 t -103.06 144.6 31.08 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 122.186 0.994 . . . . 1.0 109.317 171.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.94 149.72 38.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 106.725 -1.583 . . . . 1.0 106.725 162.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -139.77 132.31 28.7 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.205 1.479 . . . . 1.0 108.141 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.83 134.03 31.19 Favored Pre-proline 0 C--N 1.375 1.684 0 N-CA-C 103.927 -2.62 . . . . 1.0 103.927 169.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -80.73 76.21 4.64 Favored 'Trans proline' 0 C--N 1.371 1.736 0 CA-C-O 124.386 1.744 . . . . 1.0 107.787 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -175.83 -69.82 0.05 OUTLIER Glycine 0 C--N 1.38 2.979 0 CA-C-N 113.327 -1.76 . . . . 1.0 110.91 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.76 17.13 0.04 OUTLIER Glycine 0 C--N 1.39 3.572 0 C-N-CA 116.784 -2.627 . . . . 1.0 117.851 -168.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -134.59 161.51 34.89 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 107.003 -1.48 . . . . 1.0 107.003 165.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -162.18 151.32 15.58 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 106.763 -1.569 . . . . 1.0 106.763 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.9 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 N-CA-C 104.235 -2.505 . . . . 1.0 104.235 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 50' ' ' SER . 1.6 t -142.55 164.06 31.14 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 108.636 -0.875 . . . . 1.0 108.636 160.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.37 149.34 17.13 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 m -110.8 144.4 39.86 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.306 -1.738 . . . . 1.0 106.306 165.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -151.27 165.18 34.78 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-O 122.321 1.057 . . . . 1.0 108.473 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -118.71 139.73 51.07 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-O 122.464 1.126 . . . . 1.0 109.445 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.1 mm -78.06 139.0 19.26 Favored 'Isoleucine or valine' 0 C--N 1.377 1.768 0 N-CA-C 107.324 -1.362 . . . . 1.0 107.324 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.75 47.38 Favored Glycine 0 C--N 1.378 2.915 0 CA-C-N 115.224 -0.898 . . . . 1.0 113.543 173.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.562 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.3 tttm -154.18 169.07 24.47 Favored 'General case' 0 C--N 1.373 1.598 0 CA-C-O 122.933 1.349 . . . . 1.0 107.874 -174.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -83.37 168.14 16.88 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-O 123.523 1.63 . . . . 1.0 108.545 157.377 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 p -155.11 163.44 40.25 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-N 113.996 -1.457 . . . . 1.0 107.302 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.86 119.41 39.36 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 104.423 -2.436 . . . . 1.0 104.423 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -101.81 145.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.374 1.631 0 N-CA-C 105.356 -2.091 . . . . 1.0 105.356 166.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -140.35 173.09 11.85 Favored 'General case' 0 C--N 1.375 1.691 0 CA-C-O 123.441 1.591 . . . . 1.0 108.35 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.317 4.2 p 84.59 -147.75 0.01 OUTLIER 'General case' 0 C--N 1.376 1.718 0 CA-C-N 113.996 -1.457 . . . . 1.0 109.651 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.263 43.8 mm 55.98 45.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.169 0 CA-C-O 125.254 2.454 . . . . 1.0 109.357 172.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.91 7.96 55.97 Favored Glycine 0 C--N 1.382 3.12 0 CA-C-N 112.831 -1.986 . . . . 1.0 114.287 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.59 27.9 Favored Glycine 0 C--N 1.377 2.847 0 CA-C-O 122.344 0.969 . . . . 1.0 114.623 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 105.99 18.14 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 106.873 -1.528 . . . . 1.0 106.873 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -81.01 114.93 20.22 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 104.987 -2.227 . . . . 1.0 104.987 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.11 124.18 39.99 Favored 'General case' 0 C--N 1.371 1.52 0 N-CA-C 107.322 -1.362 . . . . 1.0 107.322 -177.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -75.98 154.92 35.48 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.653 1.692 . . . . 1.0 109.128 161.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -157.51 149.96 22.81 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-N 112.788 -2.006 . . . . 1.0 108.509 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -106.76 144.44 33.41 Favored 'General case' 0 C--N 1.375 1.69 0 N-CA-C 107.077 -1.453 . . . . 1.0 107.077 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.24 131.52 55.18 Favored 'Isoleucine or valine' 0 C--N 1.374 1.664 0 CA-C-O 123.77 1.748 . . . . 1.0 108.776 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -126.85 170.07 12.59 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 124.028 1.871 . . . . 1.0 108.227 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.4 ttt -132.02 147.74 52.47 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 105.292 -2.114 . . . . 1.0 105.292 170.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.375 0.0 OUTLIER -101.16 -148.8 0.37 Allowed 'General case' 0 C--N 1.374 1.663 0 N-CA-C 107.874 -1.158 . . . . 1.0 107.874 151.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.45 -39.15 15.55 Favored Glycine 0 C--N 1.371 2.526 0 C-N-CA 119.59 -1.29 . . . . 1.0 115.366 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.16 -11.31 37.03 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.176 -0.512 . . . . 1.0 114.368 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -144.12 131.73 21.16 Favored 'General case' 0 C--N 1.381 1.95 0 CA-C-O 122.854 1.312 . . . . 1.0 111.117 -156.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -87.84 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.378 1.843 0 N-CA-C 106.229 -1.767 . . . . 1.0 106.229 165.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.04 108.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.666 0 CA-C-O 123.245 1.497 . . . . 1.0 108.547 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.04 148.09 4.88 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 N-CA-C 106.517 -1.66 . . . . 1.0 106.517 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -147.29 151.99 37.54 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.172 -1.788 . . . . 1.0 106.172 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.25 168.55 6.52 Favored Pre-proline 0 C--N 1.367 1.366 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -80.86 3.27 7.91 Favored 'Trans proline' 0 C--N 1.38 2.191 0 N-CA-C 115.418 1.276 . . . . 1.0 115.418 -163.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.34 38.55 0.14 Allowed 'General case' 0 C--N 1.377 1.792 0 CA-C-O 124.653 2.168 . . . . 1.0 108.002 164.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -162.74 148.44 12.29 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-N 113.788 -1.551 . . . . 1.0 108.493 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -151.67 145.26 24.93 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 105.743 -1.947 . . . . 1.0 105.743 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.542 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 42.0 t60 -151.47 156.01 39.73 Favored 'General case' 0 C--N 1.373 1.617 0 N-CA-C 107.32 -1.363 . . . . 1.0 107.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.79 139.46 10.12 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 105.797 -1.927 . . . . 1.0 105.797 -162.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.6 119.29 3.68 Favored 'General case' 0 C--N 1.375 1.717 0 O-C-N 124.049 0.843 . . . . 1.0 110.021 -163.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -139.77 155.92 47.04 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-O 122.696 1.236 . . . . 1.0 113.48 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.5 mm -105.84 137.51 35.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.808 0 CA-C-N 114.193 -1.367 . . . . 1.0 111.186 -171.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -121.82 -115.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.383 2.038 0 N-CA-C 106.013 -1.847 . . . . 1.0 106.013 169.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 10.2 p-10 -79.96 46.86 0.83 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 125.357 2.503 . . . . 1.0 111.621 -173.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.8 3.69 36.41 Favored Glycine 0 C--N 1.38 3.014 0 CA-C-N 114.054 -1.43 . . . . 1.0 111.962 -164.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.484 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 6.3 tppt? -73.58 127.19 32.08 Favored 'General case' 0 C--N 1.374 1.64 0 N-CA-C 103.764 -2.68 . . . . 1.0 103.764 164.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.62 101.12 10.97 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 103.379 -2.823 . . . . 1.0 103.379 169.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.12 144.52 11.17 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 N-CA-C 105.179 -2.156 . . . . 1.0 105.179 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.542 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 2.3 mt-10 -143.57 146.24 33.16 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 122.96 1.362 . . . . 1.0 110.035 -176.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.9 t -143.3 126.54 13.32 Favored 'Isoleucine or valine' 0 C--N 1.38 1.916 0 N-CA-C 106.842 -1.54 . . . . 1.0 106.842 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -108.63 163.82 12.9 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.886 1.803 . . . . 1.0 110.721 166.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.4 m -153.06 111.47 3.68 Favored 'General case' 0 C--N 1.372 1.552 0 N-CA-C 105.76 -1.941 . . . . 1.0 105.76 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.82 175.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.373 1.601 0 N-CA-C 106.07 -1.826 . . . . 1.0 106.07 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.33 89.5 0.27 Allowed Glycine 0 C--N 1.374 2.644 0 CA-C-O 123.057 1.365 . . . . 1.0 110.014 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.64 -8.98 10.79 Favored Glycine 0 C--N 1.379 2.955 0 N-CA-C 117.528 1.771 . . . . 1.0 117.528 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.7 t -145.19 141.1 22.81 Favored 'Isoleucine or valine' 0 C--N 1.375 1.705 0 CA-C-O 122.562 1.173 . . . . 1.0 108.476 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.3 p -98.0 156.82 16.45 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.73 1.253 . . . . 1.0 109.165 162.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -155.06 117.94 4.35 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 106.61 -1.626 . . . . 1.0 106.61 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' A' ' 12' ' ' LYS . 3.9 pm0 -119.81 152.45 37.25 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 124.158 1.933 . . . . 1.0 110.961 -177.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -155.99 164.14 38.84 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-N 112.696 -2.047 . . . . 1.0 111.649 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.32 118.22 52.0 Favored 'Isoleucine or valine' 0 C--N 1.372 1.568 0 CA-C-N 112.722 -2.035 . . . . 1.0 106.546 170.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.0 m -102.04 168.06 9.64 Favored 'General case' 0 C--N 1.377 1.773 0 CA-C-O 123.265 1.507 . . . . 1.0 108.677 163.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 15.5 tppt? -147.21 123.2 10.72 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.65 -1.611 . . . . 1.0 106.65 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -75.96 118.88 19.2 Favored 'General case' 0 C--N 1.378 1.843 0 N-CA-C 105.681 -1.97 . . . . 1.0 105.681 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.5 tp -142.22 7.9 1.8 Allowed 'General case' 0 C--N 1.376 1.725 0 CA-C-O 123.991 1.853 . . . . 1.0 110.888 -170.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.668 0 CA-C-O 127.932 3.73 . . . . 1.0 110.838 -174.53 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 CA--C 1.539 0.526 0 CA-C-O 121.053 0.454 . . . . 1.0 111.25 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -65.29 150.03 48.94 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-O 122.897 1.332 . . . . 1.0 111.9 -159.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -172.15 22.03 Favored Glycine 0 C--N 1.379 2.937 0 CA-C-O 122.912 1.284 . . . . 1.0 114.042 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 49.3 tttp -94.61 145.8 24.57 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.255 -1.473 . . . . 1.0 107.178 173.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.97 166.76 24.04 Favored 'General case' 0 C--N 1.37 1.493 0 CA-C-O 123.998 1.856 . . . . 1.0 109.609 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 3.4 tm-20 -151.84 136.34 16.9 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 113.482 -1.69 . . . . 1.0 108.865 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.6 mt -86.68 135.04 26.01 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-N 113.712 -1.586 . . . . 1.0 110.571 -167.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.76 -51.28 8.82 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-N 113.19 -1.823 . . . . 1.0 109.16 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.3 t -167.73 170.75 10.65 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-O 123.063 1.411 . . . . 1.0 109.827 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -130.69 89.91 2.83 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-N 112.577 -2.102 . . . . 1.0 105.742 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' NZ ' ' OE1' ' A' ' 120' ' ' GLU . 1.3 ptmm? -80.56 43.41 0.66 Allowed 'General case' 0 C--N 1.381 1.949 0 N-CA-C 115.207 1.558 . . . . 1.0 115.207 -166.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -164.21 -81.79 0.03 OUTLIER 'General case' 0 C--N 1.375 1.69 0 N-CA-C 106.436 -1.69 . . . . 1.0 106.436 157.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.3 t80 71.1 -55.32 0.65 Allowed 'General case' 0 C--N 1.375 1.715 0 C-N-CA 125.622 1.569 . . . . 1.0 110.387 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.88 -53.63 17.14 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-O 122.591 1.186 . . . . 1.0 108.357 -163.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -75.46 -5.23 44.0 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-N 115.257 -0.883 . . . . 1.0 113.03 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.08 -51.82 8.55 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 122.5 1.143 . . . . 1.0 108.734 166.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.29 -30.38 69.37 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 122.222 1.011 . . . . 1.0 110.404 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -68.05 -38.78 82.85 Favored 'General case' 0 C--N 1.384 2.074 0 CA-C-O 123.854 1.788 . . . . 1.0 108.431 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -28.12 65.7 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-N 113.11 -1.859 . . . . 1.0 113.21 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -76.97 -17.59 58.78 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.5 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.655 0 C-N-CA 126.013 1.725 . . . . 1.0 112.549 179.244 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt . . . . . 0 CA--C 1.55 0.973 0 N-CA-C 107.164 -1.421 . . . . 1.0 107.164 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -30.81 64.37 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.746 -161.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -77.61 -19.05 56.18 Favored 'General case' 0 C--N 1.377 1.781 0 CA-C-N 115.114 -0.948 . . . . 1.0 112.026 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.92 -29.37 13.35 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 114.892 1.441 . . . . 1.0 114.892 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -76.36 29.05 0.12 Allowed 'General case' 0 C--N 1.382 1.997 0 N-CA-C 117.199 2.296 . . . . 1.0 117.199 -156.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.89 32.99 0.26 Allowed 'General case' 0 C--N 1.37 1.479 0 CA-C-O 123.761 1.743 . . . . 1.0 109.32 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.4 mt -98.27 168.42 10.24 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.515 2.103 . . . . 1.0 112.229 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -139.14 91.17 2.49 Favored 'General case' 0 C--N 1.381 1.961 0 CA-C-N 112.402 -2.181 . . . . 1.0 105.937 -177.564 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.42 149.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 CA-C-N 113.132 -1.849 . . . . 1.0 110.178 -172.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mm -99.77 154.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.385 2.137 0 N-CA-C 106.266 -1.753 . . . . 1.0 106.266 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.9 147.43 27.19 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.552 1.168 . . . . 1.0 113.674 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -117.62 155.3 30.11 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 172.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.2 113.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.498 0 CA-C-O 123.223 1.487 . . . . 1.0 107.054 164.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -101.76 141.43 34.64 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-N 113.197 -1.819 . . . . 1.0 106.148 172.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -93.32 145.12 24.69 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 106.366 -1.716 . . . . 1.0 106.366 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -110.09 -34.59 6.35 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-O 122.346 1.069 . . . . 1.0 109.141 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.94 -103.63 0.18 Allowed Glycine 0 C--N 1.378 2.892 0 N-CA-C 107.729 -2.148 . . . . 1.0 107.729 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -80.61 -16.96 52.78 Favored 'General case' 0 C--N 1.381 1.935 0 CA-C-O 123.396 1.57 . . . . 1.0 109.278 162.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -93.41 153.88 18.25 Favored 'General case' 0 C--N 1.372 1.546 0 CA-C-O 122.909 1.338 . . . . 1.0 109.19 177.015 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.52 155.66 42.01 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 113.193 -1.821 . . . . 1.0 106.463 169.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.5 m -123.36 103.15 8.31 Favored 'General case' 0 C--N 1.369 1.429 0 N-CA-C 105.347 -2.094 . . . . 1.0 105.347 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -93.15 145.65 24.25 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.927 -1.942 . . . . 1.0 106.282 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.2 t -147.88 146.11 28.93 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-O 122.43 1.109 . . . . 1.0 108.278 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.65 131.64 45.0 Favored 'General case' 0 C--N 1.371 1.521 0 N-CA-C 106.562 -1.644 . . . . 1.0 106.562 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.61 119.03 34.34 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 106.489 -1.671 . . . . 1.0 106.489 164.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -77.33 151.46 80.94 Favored Pre-proline 0 C--N 1.377 1.775 0 N-CA-C 104.377 -2.453 . . . . 1.0 104.377 166.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -72.25 95.02 0.75 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 CA-C-O 124.542 1.809 . . . . 1.0 110.097 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.24 -55.49 4.94 Favored Glycine 0 C--N 1.381 3.029 0 CA-C-N 112.821 -1.991 . . . . 1.0 113.226 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.52 -9.16 87.26 Favored Glycine 0 C--N 1.382 3.091 0 N-CA-C 117.185 1.634 . . . . 1.0 117.185 -156.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.77 167.25 6.42 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.432 1.587 . . . . 1.0 109.64 176.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.2 p -113.03 161.7 16.74 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 106.68 -1.6 . . . . 1.0 106.68 152.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.9 mt -129.48 142.03 44.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 N-CA-C 102.378 -3.194 . . . . 1.0 102.378 169.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -163.5 148.06 10.83 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.903 -1.748 . . . . 1.0 108.03 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 144.44 20.47 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 107.716 -1.216 . . . . 1.0 107.716 164.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.0 m -84.36 146.89 27.46 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 104.936 -2.246 . . . . 1.0 104.936 160.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -151.97 159.92 43.63 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 108.111 -1.07 . . . . 1.0 108.111 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 5.7 m -132.57 131.77 41.85 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-O 122.555 1.169 . . . . 1.0 111.151 -174.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.81 114.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.772 0 CA-C-N 114.537 -1.211 . . . . 1.0 108.468 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.79 -6.6 57.14 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 114.336 -1.302 . . . . 1.0 115.723 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 24.3 tttm -100.95 161.41 13.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-O 122.882 1.325 . . . . 1.0 108.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -76.9 150.69 35.98 Favored 'General case' 0 C--N 1.385 2.126 0 CA-C-O 123.971 1.843 . . . . 1.0 109.156 154.035 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 74.4 m -136.0 158.34 44.65 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 106.759 -1.571 . . . . 1.0 106.759 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.97 140.11 30.11 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 104.053 -2.573 . . . . 1.0 104.053 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.0 mm -149.87 132.48 6.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.502 0 N-CA-C 106.944 -1.502 . . . . 1.0 106.944 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.19 168.79 21.89 Favored 'General case' 0 C--N 1.374 1.642 0 CA-C-O 123.162 1.458 . . . . 1.0 107.263 149.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.17 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.367 1.352 0 CA-C-N 113.705 -1.589 . . . . 1.0 115.242 171.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.95 -29.43 5.22 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 CA-C-O 121.848 0.832 . . . . 1.0 112.483 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.36 -6.93 4.59 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.381 -0.827 . . . . 1.0 113.818 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.25 -12.34 55.08 Favored Glycine 0 C--N 1.374 2.683 0 N-CA-C 116.826 1.491 . . . . 1.0 116.826 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -86.22 25.99 1.1 Allowed 'General case' 0 C--N 1.374 1.659 0 N-CA-C 116.446 2.017 . . . . 1.0 116.446 -160.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.7 tttp 49.35 72.19 0.32 Allowed 'General case' 0 C--N 1.375 1.691 0 CA-C-N 113.142 -1.844 . . . . 1.0 113.741 163.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 155.61 33.63 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 123.929 1.823 . . . . 1.0 111.296 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 29.5 mmmt -90.79 156.52 17.99 Favored 'General case' 0 C--N 1.385 2.131 0 CA-C-N 113.675 -1.602 . . . . 1.0 106.836 161.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.49 141.73 20.52 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 114.667 -1.151 . . . . 1.0 109.052 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -92.43 114.28 26.79 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 105.775 -1.935 . . . . 1.0 105.775 167.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.9 t -99.1 138.25 24.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 CA-C-O 123.586 1.66 . . . . 1.0 107.012 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -156.99 167.44 30.47 Favored 'General case' 0 C--N 1.374 1.671 0 CA-C-O 124.785 2.231 . . . . 1.0 110.1 -162.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.39 135.15 47.3 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 103.277 -2.86 . . . . 1.0 103.277 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.592 ' OE2' ' NE2' ' A' ' 98' ' ' HIS . 2.6 tt0 -105.18 3.78 30.56 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 122.616 1.198 . . . . 1.0 110.214 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.79 87.17 1.98 Allowed Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.86 1.256 . . . . 1.0 111.38 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.27 70.78 Favored Glycine 0 C--N 1.388 3.465 0 CA-C-N 113.66 -1.27 . . . . 1.0 114.756 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 4.6 ttmp? -173.65 101.84 0.11 Allowed 'General case' 0 C--N 1.374 1.673 0 N-CA-C 102.227 -3.249 . . . . 1.0 102.227 -133.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -81.45 156.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.466 0 N-CA-C 106.927 -1.509 . . . . 1.0 106.927 -175.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.4 p -149.47 139.9 16.49 Favored 'Isoleucine or valine' 0 C--N 1.377 1.798 0 CA-C-O 123.944 1.831 . . . . 1.0 111.801 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -112.35 103.12 14.94 Favored 'Isoleucine or valine' 0 C--N 1.376 1.733 0 N-CA-C 103.726 -2.694 . . . . 1.0 103.726 164.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -94.21 154.93 17.3 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 106.836 -1.542 . . . . 1.0 106.836 171.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.55 170.71 3.53 Favored Pre-proline 0 C--N 1.371 1.528 0 O-C-N 121.253 -0.904 . . . . 1.0 110.036 -167.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -62.21 103.9 0.32 Allowed 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.591 1.413 . . . . 1.0 111.516 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 67.36 32.7 5.72 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 123.558 1.647 . . . . 1.0 111.039 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -162.72 131.31 4.02 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 114.435 -1.257 . . . . 1.0 108.102 -169.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.592 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 8.7 t60 -144.06 135.74 26.04 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 106.196 -1.779 . . . . 1.0 106.196 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -142.7 111.94 6.6 Favored 'General case' 0 C--N 1.374 1.655 0 N-CA-C 107.058 -1.46 . . . . 1.0 107.058 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 p -96.59 161.45 13.89 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-O 123.346 1.546 . . . . 1.0 110.846 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.18 155.27 46.51 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 113.43 -1.714 . . . . 1.0 108.597 161.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 1.1 mm-40 -148.31 156.41 42.5 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 114.705 -1.134 . . . . 1.0 109.369 -168.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.0 mm -120.65 99.39 7.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.658 0 CA-C-O 123.484 1.611 . . . . 1.0 107.948 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -83.46 -161.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.386 2.162 0 N-CA-C 104.711 -2.329 . . . . 1.0 104.711 162.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.68 78.33 0.07 Allowed 'General case' 0 C--N 1.378 1.812 0 CA-C-O 124.929 2.3 . . . . 1.0 111.7 -165.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 67.49 3.81 28.09 Favored Glycine 0 C--N 1.386 3.355 0 CA-C-N 113.054 -1.885 . . . . 1.0 115.146 -172.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -92.23 125.93 37.1 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 105.331 -2.1 . . . . 1.0 105.331 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.2 tp -92.16 105.05 17.36 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 105.144 -2.169 . . . . 1.0 105.144 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.37 153.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 CA-C-O 123.212 1.482 . . . . 1.0 108.024 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -132.8 156.58 46.85 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 114.12 -1.4 . . . . 1.0 108.939 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.8 t -141.45 132.53 27.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 171.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 m -108.87 154.49 22.04 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 122.162 0.982 . . . . 1.0 109.356 159.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 94.0 m -144.29 128.62 17.85 Favored 'General case' 0 C--N 1.375 1.699 0 N-CA-C 106.062 -1.829 . . . . 1.0 106.062 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.03 47.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 CA-C-O 125.173 2.416 . . . . 1.0 108.18 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.95 -79.04 1.73 Allowed Glycine 0 C--N 1.379 2.936 0 CA-C-N 113.218 -1.81 . . . . 1.0 110.063 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.75 1.39 63.59 Favored Glycine 0 C--N 1.376 2.775 0 N-CA-C 116.569 1.388 . . . . 1.0 116.569 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.5 t -144.14 148.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.373 1.599 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -112.52 167.35 10.52 Favored 'General case' 0 C--N 1.38 1.919 0 CA-C-O 123.849 1.785 . . . . 1.0 109.676 166.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -158.87 98.23 1.47 Allowed 'General case' 0 C--N 1.373 1.591 0 N-CA-C 105.83 -1.915 . . . . 1.0 105.83 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 12.4 mp0 -97.31 155.6 16.81 Favored 'General case' 0 C--N 1.373 1.611 0 CA-C-O 123.824 1.773 . . . . 1.0 108.82 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -151.48 143.86 24.14 Favored 'General case' 0 C--N 1.375 1.683 0 CA-C-N 113.466 -1.697 . . . . 1.0 107.131 -168.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 42.0 t -127.78 136.57 60.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.84 0 CA-C-O 122.279 1.038 . . . . 1.0 108.28 -174.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.0 166.28 25.08 Favored 'General case' 0 C--N 1.376 1.76 0 CA-C-O 123.259 1.504 . . . . 1.0 109.639 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.48 163.11 33.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-O 122.799 1.285 . . . . 1.0 109.272 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -86.35 138.35 31.88 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-N 114.097 -1.41 . . . . 1.0 110.201 -168.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.9 mt -101.57 49.69 0.86 Allowed 'General case' 0 C--N 1.379 1.855 0 CA-C-O 124.648 2.166 . . . . 1.0 109.51 172.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.526 0 CA-C-O 125.168 2.414 . . . . 1.0 107.797 170.011 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.621 0.6 . . . . 1.0 112.621 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.3 m -62.27 152.9 32.27 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-O 124.481 2.086 . . . . 1.0 111.757 -162.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.55 -178.53 19.28 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 113.737 -1.574 . . . . 1.0 112.831 169.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 42.7 tttp -90.3 149.52 22.31 Favored 'General case' 0 C--N 1.38 1.93 0 N-CA-C 105.829 -1.915 . . . . 1.0 105.829 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -141.36 152.55 44.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 107.917 -1.142 . . . . 1.0 107.917 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.532 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 1.8 tt0 -127.11 161.83 27.53 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 108.067 -1.086 . . . . 1.0 108.067 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.424 HD12 ' HB ' ' A' ' 36' ' ' ILE . 7.9 mt -81.73 134.64 26.63 Favored 'Isoleucine or valine' 0 C--N 1.375 1.685 0 CA-C-O 123.237 1.494 . . . . 1.0 110.606 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -86.49 -51.23 6.32 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-N 113.524 -1.671 . . . . 1.0 109.347 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -164.32 159.19 19.57 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.414 1.102 . . . . 1.0 111.11 -168.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -149.93 168.98 22.25 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 126.7 2.0 . . . . 1.0 107.104 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 120' ' ' GLU . 2.6 ttpm? -141.16 -38.99 0.41 Allowed 'General case' 0 C--N 1.383 2.063 0 CA-C-N 114.56 -1.2 . . . . 1.0 111.657 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -114.07 14.83 18.39 Favored 'General case' 0 C--N 1.382 1.988 0 CA-C-O 122.61 1.195 . . . . 1.0 114.087 -157.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -61.13 -46.45 90.51 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 122.63 1.205 . . . . 1.0 109.795 -166.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.52 -45.14 73.06 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-O 123.216 1.484 . . . . 1.0 107.773 -167.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -65.49 -34.04 77.33 Favored 'General case' 0 C--N 1.385 2.138 0 CA-C-N 114.113 -1.403 . . . . 1.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.05 -45.57 76.98 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-O 122.368 1.08 . . . . 1.0 109.067 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 64.7 mmm -68.64 -26.64 65.43 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.79 0.805 . . . . 1.0 110.618 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 122.307 1.051 . . . . 1.0 110.018 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -70.95 -31.2 67.71 Favored 'General case' 0 C--N 1.384 2.097 0 CA-C-N 115.043 -0.98 . . . . 1.0 112.813 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.5 -30.05 61.66 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.758 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.376 1.721 0 CA-C-O 123.646 1.688 . . . . 1.0 112.607 175.023 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.5 mt . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 108.173 -1.047 . . . . 1.0 108.173 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.496 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 38.6 t70 -62.59 -39.89 95.16 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-O 122.941 1.353 . . . . 1.0 110.05 -166.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 16.95 1.09 Allowed 'General case' 0 C--N 1.378 1.815 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.26 13.13 4.22 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 114.789 1.403 . . . . 1.0 114.789 158.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 29' ' ' ASP . 63.4 mtt180 -73.53 142.16 46.71 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-O 124.881 2.276 . . . . 1.0 111.005 173.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.78 98.02 11.53 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 104.371 -2.455 . . . . 1.0 104.371 -65.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.59 157.41 36.72 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 124.628 2.156 . . . . 1.0 110.423 -171.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.532 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 6.7 mtpm? -79.35 86.42 5.08 Favored 'General case' 0 C--N 1.384 2.079 0 N-CA-C 106.166 -1.79 . . . . 1.0 106.166 172.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.424 ' HB ' HD12 ' A' ' 8' ' ' ILE . 79.1 mt -72.38 137.53 23.34 Favored 'Isoleucine or valine' 0 C--N 1.38 1.896 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.55 148.2 10.3 Favored 'Isoleucine or valine' 0 C--N 1.376 1.753 0 N-CA-C 104.231 -2.507 . . . . 1.0 104.231 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.44 150.33 47.54 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-O 123.025 1.393 . . . . 1.0 111.233 -178.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -124.17 151.03 44.51 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 106.363 -1.718 . . . . 1.0 106.363 176.526 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.64 133.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.371 1.542 0 CA-C-N 113.968 -1.469 . . . . 1.0 108.416 164.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.572 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 44.3 tttm -118.27 142.98 46.93 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 113.721 -1.582 . . . . 1.0 106.865 167.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -94.55 145.75 24.59 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-N 114.569 -1.196 . . . . 1.0 108.272 166.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.572 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 34.4 m-20 -145.5 51.84 1.19 Allowed 'General case' 0 C--N 1.375 1.69 0 CA-C-O 124.415 2.055 . . . . 1.0 106.246 -163.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.98 36.77 56.94 Favored Glycine 0 C--N 1.388 3.471 0 C-N-CA 118.347 -1.882 . . . . 1.0 112.677 163.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 96.62 -19.99 0.05 Allowed 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.22 1.808 . . . . 1.0 111.635 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -79.22 155.69 28.49 Favored 'General case' 0 C--N 1.38 1.917 0 N-CA-C 107.357 -1.349 . . . . 1.0 107.357 156.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.433 ' CE1' HD12 ' A' ' 65' ' ' ILE . 7.5 m-85 -131.86 135.15 46.47 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 104.677 -2.342 . . . . 1.0 104.677 173.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.0 m -113.71 103.82 11.61 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 105.532 -2.025 . . . . 1.0 105.532 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -100.57 157.89 16.33 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 124.271 1.986 . . . . 1.0 108.901 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -157.23 149.4 22.76 Favored 'General case' 0 C--N 1.374 1.633 0 O-C-N 120.26 -1.525 . . . . 1.0 111.427 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -120.78 128.46 52.91 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 104.674 -2.343 . . . . 1.0 104.674 166.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.75 129.56 34.82 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-O 122.442 1.115 . . . . 1.0 108.785 168.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -95.4 126.46 45.82 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 105.729 -1.952 . . . . 1.0 105.729 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -71.73 62.11 3.01 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.027 1.818 . . . . 1.0 114.514 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.12 34.17 0.09 OUTLIER Glycine 0 C--N 1.379 2.955 0 CA-C-O 123.371 1.539 . . . . 1.0 111.006 -168.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.89 23.73 40.73 Favored Glycine 0 C--N 1.385 3.293 0 C-N-CA 119.72 -1.229 . . . . 1.0 114.488 162.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.95 162.99 34.53 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 123.728 1.728 . . . . 1.0 110.566 166.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 p -109.68 159.64 16.97 Favored 'General case' 0 C--N 1.371 1.513 0 CA-C-N 113.598 -1.637 . . . . 1.0 108.076 160.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.85 99.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 N-CA-C 101.891 -3.374 . . . . 1.0 101.891 158.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.8 m -105.01 148.69 26.47 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-N 114.297 -1.32 . . . . 1.0 107.641 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.84 142.79 15.34 Favored 'General case' 0 C--N 1.374 1.645 0 N-CA-C 108.769 -0.826 . . . . 1.0 108.769 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -112.04 144.05 42.03 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 162.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -146.97 155.26 42.12 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-O 122.786 1.279 . . . . 1.0 109.121 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -115.3 120.76 40.72 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 122.871 1.319 . . . . 1.0 107.668 -176.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.433 HD12 ' CE1' ' A' ' 47' ' ' PHE . 3.0 mt -75.28 139.14 19.56 Favored 'Isoleucine or valine' 0 C--N 1.375 1.701 0 CA-C-O 122.966 1.365 . . . . 1.0 110.117 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.59 42.37 Favored Glycine 0 C--N 1.381 3.048 0 CA-C-N 113.998 -1.455 . . . . 1.0 115.666 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.483 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 8.2 ptmm? -152.94 -174.97 5.12 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 122.379 1.085 . . . . 1.0 109.263 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -84.27 154.83 22.74 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 123.359 1.552 . . . . 1.0 109.498 161.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.8 m -130.59 157.6 42.27 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 106.329 -1.73 . . . . 1.0 106.329 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.58 149.48 24.91 Favored 'General case' 0 C--N 1.372 1.582 0 N-CA-C 106.022 -1.844 . . . . 1.0 106.022 171.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.4 mm -142.15 144.79 24.69 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 N-CA-C 107.151 -1.426 . . . . 1.0 107.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.94 64.18 0.58 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-O 125.317 2.484 . . . . 1.0 111.593 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.9 p -137.5 169.78 17.2 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-N 113.022 -1.899 . . . . 1.0 110.123 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm 65.87 57.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 CA-C-O 123.859 1.79 . . . . 1.0 108.272 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.25 -25.99 1.4 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 114.063 -1.426 . . . . 1.0 113.254 166.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.74 45.55 6.73 Favored Glycine 0 C--N 1.383 3.165 0 CA-C-O 123.267 1.481 . . . . 1.0 110.078 -165.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -134.99 158.72 43.61 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 107.265 -1.383 . . . . 1.0 107.265 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -94.84 151.9 18.85 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 114.39 -1.277 . . . . 1.0 108.052 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.64 156.14 38.67 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.32 1.534 . . . . 1.0 107.231 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -108.22 158.83 17.11 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 106.727 -1.582 . . . . 1.0 106.727 162.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.77 137.3 21.21 Favored 'General case' 0 C--N 1.371 1.528 0 CA-C-N 115.18 -0.918 . . . . 1.0 109.402 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.69 148.96 22.99 Favored 'General case' 0 C--N 1.378 1.833 0 N-CA-C 107.469 -1.308 . . . . 1.0 107.469 167.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -155.45 137.65 6.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 123.531 1.634 . . . . 1.0 110.232 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -158.05 158.96 35.77 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 123.212 1.482 . . . . 1.0 111.276 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 ttt -95.9 157.76 15.75 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.426 -1.715 . . . . 1.0 107.982 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.339 0.9 OUTLIER -147.42 -149.9 0.31 Allowed 'General case' 0 C--N 1.368 1.388 0 CA-C-N 113.558 -1.656 . . . . 1.0 106.822 172.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.61 70.24 1.14 Allowed Glycine 0 C--N 1.363 2.082 0 N-CA-C 117.08 1.592 . . . . 1.0 117.08 -161.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.35 23.43 43.94 Favored Glycine 0 C--N 1.382 3.102 0 CA-C-O 122.759 1.199 . . . . 1.0 112.852 -175.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.26 147.35 26.26 Favored 'General case' 0 C--N 1.378 1.823 0 N-CA-C 107.25 -1.389 . . . . 1.0 107.25 -159.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.5 t -113.05 138.85 41.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.455 0 N-CA-C 106.485 -1.672 . . . . 1.0 106.485 172.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.5 m -117.62 136.79 53.65 Favored 'Isoleucine or valine' 0 C--N 1.379 1.863 0 N-CA-C 107.909 -1.145 . . . . 1.0 107.909 167.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 t -112.31 148.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 N-CA-C 104.138 -2.541 . . . . 1.0 104.138 165.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.01 148.3 32.57 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 105.21 -2.144 . . . . 1.0 105.21 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.4 p -165.4 175.36 2.48 Favored Pre-proline 0 C--N 1.366 1.286 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -174.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -71.37 40.86 0.4 Allowed 'Trans proline' 0 C--N 1.379 2.161 0 N-CA-C 117.838 2.207 . . . . 1.0 117.838 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . 0.268 49.3 p30 161.18 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.379 1.883 0 C-N-CA 125.115 1.366 . . . . 1.0 110.821 158.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -103.09 94.46 5.55 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 106.523 -1.658 . . . . 1.0 106.523 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.58 146.8 26.72 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.273 -1.751 . . . . 1.0 106.273 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -141.78 159.19 42.72 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 123.678 1.704 . . . . 1.0 107.498 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.8 138.59 13.1 Favored 'General case' 0 C--N 1.362 1.126 0 N-CA-C 103.476 -2.787 . . . . 1.0 103.476 -172.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.64 142.52 29.12 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 108.17 -1.048 . . . . 1.0 108.17 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.28 139.19 10.56 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.934 1.349 . . . . 1.0 110.558 -161.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 mm -99.61 124.93 53.27 Favored 'Isoleucine or valine' 0 C--N 1.381 1.969 0 CA-C-N 113.88 -1.509 . . . . 1.0 108.308 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.71 133.87 42.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 104.722 -2.325 . . . . 1.0 104.722 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.546 ' OD1' ' NZ ' ' A' ' 124' ' ' LYS 0.321 1.1 p30 58.98 17.36 5.33 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 124.56 2.124 . . . . 1.0 116.473 172.012 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.28 -2.67 56.25 Favored Glycine 0 C--N 1.385 3.256 0 O-C-N 120.516 -1.365 . . . . 1.0 114.598 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 154.41 41.77 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 106.69 -1.596 . . . . 1.0 106.69 159.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -123.97 96.68 5.04 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 102.45 -3.167 . . . . 1.0 102.45 169.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.32 141.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.375 1.676 0 N-CA-C 105.487 -2.042 . . . . 1.0 105.487 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -119.73 154.15 34.58 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 122.752 1.263 . . . . 1.0 108.563 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.0 107.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.778 0 N-CA-C 105.964 -1.865 . . . . 1.0 105.964 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.69 162.76 17.74 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 124.118 1.914 . . . . 1.0 111.578 158.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 144.68 38.39 Favored 'General case' 0 C--N 1.375 1.704 0 CA-C-N 112.605 -2.089 . . . . 1.0 105.445 166.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.57 48.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 125.795 2.712 . . . . 1.0 107.921 -171.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.72 -94.04 1.41 Allowed Glycine 0 C--N 1.378 2.891 0 CA-C-N 111.928 -2.396 . . . . 1.0 108.434 -175.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.61 12.49 66.14 Favored Glycine 0 C--N 1.377 2.845 0 N-CA-C 116.414 1.325 . . . . 1.0 116.414 -170.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.97 145.25 24.3 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 N-CA-C 107.375 -1.342 . . . . 1.0 107.375 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 163.45 13.69 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-O 122.614 1.197 . . . . 1.0 108.867 165.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -143.04 86.21 1.91 Allowed 'General case' 0 C--N 1.369 1.433 0 N-CA-C 106.518 -1.66 . . . . 1.0 106.518 162.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 12' ' ' LYS . 19.4 pm0 -79.27 146.79 32.81 Favored 'General case' 0 C--N 1.367 1.367 0 CA-C-N 112.124 -2.307 . . . . 1.0 109.93 168.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.73 134.35 10.83 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 112.819 -1.992 . . . . 1.0 106.115 -171.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.66 117.6 54.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.447 0 N-CA-C 106.613 -1.625 . . . . 1.0 106.613 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.41 160.61 22.73 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 122.515 1.15 . . . . 1.0 109.113 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.546 ' NZ ' ' OD1' ' A' ' 105' ' ' ASP . 16.9 tppt? -146.86 142.78 28.02 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-O 123.49 1.614 . . . . 1.0 109.205 -170.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -82.77 80.61 8.81 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.557 1.646 . . . . 1.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.7 mt -83.47 44.62 0.98 Allowed 'General case' 0 C--N 1.371 1.501 0 CA-C-O 125.819 2.724 . . . . 1.0 110.9 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.375 1.711 0 CA-C-N 112.776 -2.011 . . . . 1.0 111.257 169.214 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' H1 ' ' HZ1' ' A' ' 125' ' ' LYS . . . . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.921 -0.77 . . . . 0.57 108.921 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -81.63 -23.97 36.65 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 118.198 -2.814 . . . . 0.57 111.372 -6.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.7 m -69.17 154.57 41.83 Favored 'General case' 0 C--N 1.37 1.496 0 CA-C-O 122.819 1.295 . . . . 0.57 110.583 -167.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.32 177.39 20.06 Favored Glycine 0 C--N 1.38 2.98 0 CA-C-O 123.699 1.721 . . . . 0.57 115.093 168.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.2 tttp -101.68 112.87 25.59 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 104.5 -2.407 . . . . 0.57 104.5 169.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.97 141.3 42.93 Favored 'General case' 0 C--N 1.368 1.386 0 N-CA-C 107.869 -1.16 . . . . 0.57 107.869 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -101.73 160.45 14.45 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 107.308 -1.368 . . . . 0.91 107.308 168.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.44 129.68 36.11 Favored 'Isoleucine or valine' 0 C--N 1.375 1.686 0 CA-C-O 123.333 1.54 . . . . 0.57 107.807 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.7 -43.86 16.35 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 107.29 -1.374 . . . . 0.91 107.29 172.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -176.73 162.56 2.2 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-O 122.715 1.245 . . . . 0.57 111.321 175.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' OE2' ' NH1' ' A' ' 121' ' ' ARG . 61.3 mt-10 -141.81 160.66 39.73 Favored 'General case' 0 C--N 1.378 1.845 0 N-CA-C 106.335 -1.728 . . . . 0.91 106.335 174.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.76 19.69 0.46 Allowed 'General case' 0 C--N 1.385 2.121 0 N-CA-C 115.32 1.6 . . . . 0.57 115.32 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.23 18.43 0.29 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 117.21 -1.796 . . . . 0.57 114.309 -176.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -44.43 65.36 Favored 'General case' 0 C--N 1.381 1.939 0 CA-C-O 123.024 1.393 . . . . 0.57 110.547 -161.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -60.78 -48.05 83.55 Favored 'General case' 0 C--N 1.379 1.889 0 CA-C-O 122.753 1.263 . . . . 0.91 108.442 -161.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -69.85 -27.13 64.59 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 114.433 -1.258 . . . . 0.91 112.965 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -66.4 -36.68 83.46 Favored 'General case' 0 C--N 1.37 1.484 0 CA-C-O 122.594 1.188 . . . . 0.57 109.586 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.9 mmm -65.53 -30.88 71.69 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.732 1.254 . . . . 0.57 110.029 -171.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -72.3 -30.93 65.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 114.571 -1.195 . . . . 0.57 111.057 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -76.33 -26.77 56.12 Favored 'General case' 0 C--N 1.384 2.093 0 CA-C-O 122.797 1.284 . . . . 1.2 111.552 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.3 mt -78.91 -29.39 44.23 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.872 -1.058 . . . . 0.57 111.728 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 73.49 50.67 0.13 Allowed 'General case' 0 C--N 1.374 1.646 0 CA-C-O 123.27 1.509 . . . . 0.57 110.625 -171.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -92.88 157.49 39.31 Favored Pre-proline 0 C--N 1.386 2.174 0 CA-C-N 114.175 -1.375 . . . . 0.57 110.805 166.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.89 -177.23 3.0 Favored 'Trans proline' 0 C--N 1.382 2.302 0 CA-C-O 125.582 2.242 . . . . 0.57 111.248 -168.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 p -67.01 -39.17 87.03 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-N 111.862 -2.426 . . . . 0.57 110.223 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.525 ' OD2' ' NE2' ' A' ' 57' ' ' HIS . 20.3 t70 -80.36 48.73 1.05 Allowed 'General case' 0 C--N 1.378 1.807 0 CA-C-O 126.056 2.836 . . . . 0.91 109.738 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.1 -34.5 0.07 Allowed 'General case' 0 C--N 1.373 1.594 0 CA-C-N 112.195 -2.275 . . . . 0.57 109.155 169.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.04 -32.28 15.22 Favored 'Isoleucine or valine' 0 C--N 1.383 2.058 0 CA-C-N 114.109 -1.405 . . . . 0.57 110.392 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 30' ' ' LYS . 31.5 p-10 -69.58 -47.48 63.45 Favored 'General case' 0 C--N 1.364 1.227 0 CA-C-O 122.07 0.938 . . . . 0.91 111.089 172.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 29.9 mttp -89.1 3.76 50.71 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 119.374 -0.93 . . . . 0.57 111.721 -159.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.91 5.01 49.45 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 113.819 1.044 . . . . 0.57 113.819 164.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.81 79.09 1.59 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.771 1.748 . . . . 1.2 112.147 -168.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 83.51 36.29 0.04 OUTLIER 'General case' 0 C--N 1.376 1.729 0 CA-C-N 113.067 -1.878 . . . . 0.57 111.272 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 mt -78.28 154.73 30.69 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 124.041 1.877 . . . . 0.57 110.688 167.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -85.82 93.99 9.03 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 104.479 -2.415 . . . . 0.57 104.479 159.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -73.75 152.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 N-CA-C 105.799 -1.926 . . . . 0.57 105.799 171.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.13 120.93 61.76 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 N-CA-C 105.78 -1.933 . . . . 0.57 105.78 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -92.09 114.86 27.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 107.283 -1.377 . . . . 0.57 107.283 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 11.2 mm-40 -94.86 143.68 26.26 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 105.79 -1.93 . . . . 0.91 105.79 171.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -143.71 93.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.565 0 N-CA-C 106.236 -1.764 . . . . 0.57 106.236 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 1.4 tmmt? -90.35 122.55 33.33 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 105.188 -2.153 . . . . 0.57 105.188 163.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -96.63 136.73 36.75 Favored 'General case' 0 C--N 1.374 1.671 0 N-CA-C 105.102 -2.184 . . . . 0.57 105.102 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.8 m-20 -100.39 -31.19 11.44 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-O 123.188 1.47 . . . . 0.91 108.306 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.59 -96.05 0.11 Allowed Glycine 0 C--N 1.382 3.133 0 N-CA-C 106.511 -2.636 . . . . 0.57 106.511 168.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -82.28 -19.5 39.4 Favored 'General case' 0 C--N 1.378 1.826 0 CA-C-O 123.121 1.439 . . . . 0.57 109.201 162.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -89.65 157.43 18.02 Favored 'General case' 0 C--N 1.382 2.016 0 N-CA-C 107.091 -1.448 . . . . 0.57 107.091 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -139.62 152.9 47.16 Favored 'General case' 0 C--N 1.365 1.282 0 CA-C-N 114.059 -1.428 . . . . 0.57 107.728 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.7 m -132.14 86.73 2.36 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 104.852 -2.277 . . . . 0.57 104.852 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -84.81 156.35 21.39 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 113.063 -1.881 . . . . 0.57 107.446 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -151.49 143.84 24.11 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-N 114.859 -1.064 . . . . 0.57 109.053 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -114.51 98.95 7.2 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 105.413 -2.069 . . . . 0.57 105.413 166.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -92.34 153.61 19.09 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 124.203 1.954 . . . . 0.57 109.551 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -156.24 93.68 2.46 Favored Pre-proline 0 C--N 1.379 1.854 0 N-CA-C 105.221 -2.14 . . . . 0.57 105.221 -142.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -77.09 64.61 7.82 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-O 124.498 1.791 . . . . 0.57 112.034 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.37 18.7 0.61 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 112.994 -1.912 . . . . 0.57 111.027 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.4 11.09 64.88 Favored Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.541 1.078 . . . . 0.57 114.292 168.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.525 ' NE2' ' OD2' ' A' ' 26' ' ' ASP . 8.9 m-70 -134.62 179.57 6.21 Favored 'General case' 0 C--N 1.373 1.627 0 N-CA-C 105.533 -2.025 . . . . 0.57 105.533 171.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -177.38 162.65 1.92 Allowed 'General case' 0 C--N 1.365 1.281 0 N-CA-C 106.314 -1.736 . . . . 0.57 106.314 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.3 mt -139.2 100.49 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.675 0 N-CA-C 108.409 -0.959 . . . . 0.57 108.409 -170.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.9 m -89.1 158.87 17.8 Favored 'General case' 0 C--N 1.375 1.701 0 CA-C-O 122.353 1.073 . . . . 0.57 108.21 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -159.31 116.9 2.74 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-O 122.031 0.92 . . . . 0.57 108.629 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.0 m -92.0 136.79 32.89 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 106.025 -1.843 . . . . 0.57 106.025 167.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -148.68 169.61 20.01 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-O 123.057 1.408 . . . . 0.57 110.039 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.6 m -131.69 137.78 48.43 Favored 'General case' 0 C--N 1.379 1.88 0 CA-C-N 114.952 -1.022 . . . . 0.57 108.634 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -85.77 141.19 14.83 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 122.759 1.266 . . . . 0.57 109.655 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.55 38.06 15.47 Favored Glycine 0 C--N 1.383 3.157 0 CA-C-N 114.226 -1.352 . . . . 0.57 112.164 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.0 tttm -160.39 166.68 28.88 Favored 'General case' 0 C--N 1.376 1.731 0 N-CA-C 107.106 -1.442 . . . . 0.57 107.106 -170.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -87.26 150.14 24.09 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.444 1.592 . . . . 0.91 109.005 153.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.5 m -125.53 156.88 38.34 Favored 'General case' 0 C--N 1.37 1.476 0 N-CA-C 106.652 -1.611 . . . . 0.57 106.652 166.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.82 148.4 22.55 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 105.627 -1.99 . . . . 0.91 105.627 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.1 mm -145.33 133.07 16.11 Favored 'Isoleucine or valine' 0 C--N 1.374 1.671 0 CA-C-O 122.874 1.321 . . . . 0.57 108.011 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 78' ' ' LYS . 33.7 mp0 -128.36 174.37 9.38 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 125.146 2.403 . . . . 0.91 108.034 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.5 p 84.91 -45.84 0.08 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 113.768 -1.56 . . . . 0.57 114.469 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -78.47 83.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.771 0 CA-C-O 125.603 2.621 . . . . 0.57 107.266 -161.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.19 23.33 35.02 Favored Glycine 0 C--N 1.383 3.173 0 CA-C-N 112.037 -2.347 . . . . 0.57 113.456 -171.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.87 19.13 78.06 Favored Glycine 0 C--N 1.381 3.053 0 C-N-CA 119.504 -1.332 . . . . 0.57 115.811 159.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.76 171.29 7.5 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-O 122.791 1.281 . . . . 0.57 108.274 172.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 5.9 tmtm? -125.97 96.07 4.62 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 102.95 -2.982 . . . . 0.57 102.95 169.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -101.14 155.26 18.11 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.666 1.222 . . . . 0.57 109.457 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -98.11 162.7 13.08 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-O 122.972 1.368 . . . . 0.57 107.555 148.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -146.47 142.63 28.29 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-N 113.707 -1.588 . . . . 0.57 107.976 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.85 142.69 33.39 Favored 'General case' 0 C--N 1.377 1.779 0 N-CA-C 107.299 -1.371 . . . . 0.57 107.299 167.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -137.54 130.24 42.32 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 CA-C-O 124.253 1.978 . . . . 0.57 105.888 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -153.51 165.8 34.72 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 124.241 1.972 . . . . 0.57 109.233 -153.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.3 ttt -114.29 119.74 38.03 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 103.785 -2.672 . . . . 0.57 103.785 163.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.68 -176.47 6.08 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 104.108 -2.553 . . . . 0.91 104.108 162.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.86 88.44 0.38 Allowed Glycine 0 C--N 1.377 2.814 0 O-C-N 120.145 -1.597 . . . . 0.57 113.08 -164.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.74 17.34 Favored Glycine 0 C--N 1.377 2.849 0 CA-C-N 114.049 -1.076 . . . . 0.57 115.128 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -99.19 147.28 25.28 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 122.122 0.963 . . . . 0.57 109.219 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.8 t -80.46 161.9 3.81 Favored 'Isoleucine or valine' 0 C--N 1.37 1.48 0 N-CA-C 106.627 -1.62 . . . . 0.57 106.627 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.9 p -160.26 140.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.525 1.631 . . . . 0.57 111.702 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.5 t -108.73 140.82 25.86 Favored 'Isoleucine or valine' 0 C--N 1.382 2.021 0 N-CA-C 106.256 -1.757 . . . . 0.57 106.256 162.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -141.69 130.53 22.99 Favored 'General case' 0 C--N 1.373 1.626 0 N-CA-C 106.741 -1.578 . . . . 0.57 106.741 -175.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.2 p -159.13 175.39 3.27 Favored Pre-proline 0 C--N 1.372 1.552 0 CA-C-O 121.651 0.738 . . . . 0.57 110.371 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -64.04 116.75 3.89 Favored 'Trans proline' 0 C--N 1.381 2.284 0 CA-C-O 123.674 1.448 . . . . 0.57 111.768 -174.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 72.87 35.52 1.0 Allowed 'General case' 0 C--N 1.385 2.116 0 CA-C-N 113.607 -1.633 . . . . 0.57 111.073 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -167.09 119.79 0.95 Allowed 'General case' 0 C--N 1.39 2.331 0 CA-C-O 122.668 1.223 . . . . 0.57 111.681 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -120.4 148.25 44.02 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.117 -2.179 . . . . 0.57 105.117 167.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.501 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 22.3 t60 -155.3 92.12 1.39 Allowed 'General case' 0 C--N 1.376 1.737 0 N-CA-C 107.424 -1.324 . . . . 0.57 107.424 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.7 p -80.6 164.34 22.98 Favored 'General case' 0 C--N 1.373 1.607 0 CA-C-O 123.475 1.607 . . . . 0.57 110.17 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -152.2 88.05 1.36 Allowed 'General case' 0 C--N 1.376 1.724 0 CA-C-N 113.233 -1.803 . . . . 0.57 106.26 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 7.3 tp10 -97.2 159.64 14.8 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 126.314 1.846 . . . . 0.91 109.964 -174.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.7 mm -107.62 139.01 31.05 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 123.609 1.671 . . . . 0.57 109.411 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.7 p -151.15 149.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.926 0 N-CA-C 107.056 -1.461 . . . . 0.57 107.056 163.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . 0.387 1.0 OUTLIER 57.79 14.02 2.3 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 116.624 2.083 . . . . 0.91 116.624 175.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.33 -11.0 59.69 Favored Glycine 0 C--N 1.386 3.323 0 CA-C-N 114.238 -1.346 . . . . 0.57 115.206 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -82.28 166.12 19.81 Favored 'General case' 0 C--N 1.372 1.551 0 CA-C-O 123.569 1.652 . . . . 0.57 110.979 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.29 141.23 28.67 Favored 'General case' 0 C--N 1.374 1.666 0 CA-C-N 112.619 -2.082 . . . . 0.57 107.16 166.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.3 t -117.24 121.35 67.47 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 N-CA-C 104.009 -2.589 . . . . 0.57 104.009 161.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.501 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 45.1 mt-10 -100.33 151.88 20.98 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 118.474 -1.29 . . . . 0.91 108.136 165.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.8 t -134.57 112.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 N-CA-C 105.544 -2.021 . . . . 0.57 105.544 163.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 m -93.08 151.44 19.86 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.602 -1.181 . . . . 0.57 109.184 166.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 m -147.07 123.35 10.91 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 105.33 -2.1 . . . . 0.57 105.33 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.87 -178.7 2.66 Favored 'Isoleucine or valine' 0 C--N 1.37 1.487 0 N-CA-C 106.026 -1.842 . . . . 0.57 106.026 -175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -64.75 97.24 0.24 Allowed Glycine 0 C--N 1.375 2.733 0 CA-C-O 123.793 1.774 . . . . 0.57 112.394 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.06 4.26 72.07 Favored Glycine 0 C--N 1.378 2.9 0 CA-C-N 112.925 -1.638 . . . . 0.57 117.105 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 83.8 t -141.83 150.95 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.653 0 N-CA-C 106.752 -1.573 . . . . 0.57 106.752 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.8 m -121.89 163.29 19.49 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 122.427 1.108 . . . . 0.57 108.848 160.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -152.68 98.56 2.36 Favored 'General case' 0 C--N 1.367 1.326 0 N-CA-C 105.909 -1.885 . . . . 0.57 105.909 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 154.35 19.89 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 124.903 2.287 . . . . 0.91 110.889 170.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.404 ' NH1' ' OE2' ' A' ' 11' ' ' GLU . 13.8 ttm-85 -140.06 144.87 37.08 Favored 'General case' 0 C--N 1.371 1.508 0 CA-C-N 110.928 -2.851 . . . . 1.2 104.423 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.51 120.31 57.44 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 N-CA-C 105.99 -1.855 . . . . 0.57 105.99 168.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.0 m -122.02 113.01 18.96 Favored 'General case' 0 C--N 1.377 1.789 0 CA-C-N 114.814 -1.085 . . . . 0.57 108.211 -174.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -80.01 137.92 36.93 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 122.741 1.258 . . . . 0.57 112.096 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.412 ' HZ1' ' H1 ' ' A' ' 1' ' ' ALA . 4.7 ttpm? -91.69 123.45 35.09 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.429 -1.693 . . . . 0.57 106.429 165.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.78 23.62 0.45 Allowed 'General case' 0 C--N 1.375 1.676 0 CA-C-O 123.323 1.535 . . . . 0.57 112.039 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.379 1.851 0 CA-C-O 126.404 3.002 . . . . 0.66 108.197 176.714 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 123.48 1.61 . . . . 0.57 109.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -80.95 64.85 5.87 Favored 'General case' 0 C--N 1.371 1.509 0 CA-C-O 124.354 2.026 . . . . 0.57 110.326 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.2 t -151.8 170.98 18.46 Favored 'General case' 0 C--N 1.381 1.978 0 CA-C-O 122.732 1.253 . . . . 0.57 109.209 159.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.48 -177.16 30.3 Favored Glycine 0 C--N 1.375 2.709 0 CA-C-O 123.877 1.821 . . . . 0.57 114.812 -162.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' NZ ' ' OE1' ' A' ' 39' ' ' GLU . 15.2 mttp -72.63 167.57 20.47 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 118.542 -2.74 . . . . 0.57 104.858 -29.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -128.39 160.7 31.41 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 105.345 -2.095 . . . . 0.57 105.345 159.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.458 ' OE1' ' NZ ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -145.02 144.43 31.0 Favored 'General case' 0 C--N 1.365 1.271 0 N-CA-C 104.796 -2.298 . . . . 0.91 104.796 -172.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.47 130.71 35.95 Favored 'Isoleucine or valine' 0 C--N 1.37 1.462 0 CA-C-O 124.558 2.123 . . . . 0.57 110.611 -169.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.483 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 32.2 tt0 -89.65 -44.08 10.3 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-N 112.738 -2.028 . . . . 0.91 107.057 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -173.41 154.6 2.64 Favored 'General case' 0 C--N 1.38 1.905 0 CA-C-O 122.439 1.114 . . . . 0.57 110.51 170.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -123.45 122.48 38.35 Favored 'General case' 0 C--N 1.376 1.73 0 N-CA-C 104.743 -2.317 . . . . 0.91 104.743 169.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -2.07 26.77 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 114.761 1.393 . . . . 0.57 114.761 -165.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.13 24.19 0.83 Allowed 'General case' 0 C--N 1.384 2.068 0 CA-C-O 123.348 1.547 . . . . 0.57 112.162 -167.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -66.28 -40.79 90.3 Favored 'General case' 0 C--N 1.38 1.923 0 CA-C-O 122.89 1.328 . . . . 0.57 109.736 -169.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' OD1' ' NZ ' ' A' ' 19' ' ' LYS . 12.2 t70 -67.53 -45.77 74.74 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 123.207 1.48 . . . . 0.91 108.104 -166.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -38.49 91.21 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-N 113.241 -1.799 . . . . 0.91 109.909 -176.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -69.19 -39.04 78.91 Favored 'General case' 0 C--N 1.379 1.852 0 CA-C-O 123.22 1.486 . . . . 0.57 109.303 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 77.3 mmm -69.08 -25.43 64.43 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 121.067 -1.021 . . . . 0.57 111.697 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' NZ ' ' OD1' ' A' ' 15' ' ' ASP . 13.7 mptt -69.68 -30.01 67.58 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-O 121.566 0.698 . . . . 0.57 110.655 172.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -73.01 -35.02 66.72 Favored 'General case' 0 C--N 1.381 1.954 0 CA-C-O 121.872 0.844 . . . . 1.2 111.906 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 74' ' ' ILE . 41.2 mt -76.58 -15.57 59.82 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 115.77 -0.65 . . . . 0.57 111.699 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 84.98 39.78 0.02 OUTLIER 'General case' 0 C--N 1.374 1.651 0 C-N-CA 126.909 2.084 . . . . 0.57 113.532 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.83 150.11 38.1 Favored Pre-proline 0 C--N 1.382 2.006 0 CA-C-N 114.652 -1.158 . . . . 0.57 109.678 166.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.9 158.27 13.73 Favored 'Trans proline' 0 C--N 1.382 2.337 0 CA-C-O 123.968 1.57 . . . . 0.57 110.195 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.27 64.29 5.94 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-O 124.659 2.171 . . . . 0.57 109.934 167.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 14.7 t70 -132.8 -44.61 0.88 Allowed 'General case' 0 C--N 1.38 1.914 0 CA-C-N 112.008 -2.36 . . . . 0.91 104.75 155.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.96 -38.7 61.64 Favored 'General case' 0 C--N 1.391 2.405 0 CA-C-N 113.338 -1.755 . . . . 0.57 110.053 -174.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.9 mt -66.31 -36.54 77.62 Favored 'Isoleucine or valine' 0 C--N 1.381 1.972 0 CA-C-O 123.142 1.449 . . . . 0.57 107.829 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' OD2' ' NH1' ' A' ' 32' ' ' ARG . 1.6 m-20 -71.49 -16.87 62.37 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 114.956 -1.02 . . . . 0.91 110.401 -168.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' NZ ' ' OD1' ' A' ' 26' ' ' ASP . 48.4 mttp -96.82 31.44 2.35 Favored 'General case' 0 C--N 1.378 1.834 0 CA-C-O 123.069 1.414 . . . . 0.57 111.885 171.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.49 -1.54 0.27 Allowed 'General case' 0 C--N 1.381 1.938 0 CA-C-N 114.927 -1.033 . . . . 0.57 113.714 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.471 ' NH1' ' OD2' ' A' ' 29' ' ' ASP . 37.0 mtt85 -79.78 152.92 29.53 Favored 'General case' 0 C--N 1.381 1.97 0 CA-C-O 123.34 1.543 . . . . 1.2 109.668 171.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 68.68 19.05 8.65 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.755 -1.566 . . . . 0.57 112.634 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -91.35 155.86 18.19 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 123.705 1.717 . . . . 0.57 107.86 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' NZ ' ' OE1' ' A' ' 7' ' ' GLU . 15.0 mttm -96.29 103.98 15.92 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.275 -2.12 . . . . 0.57 105.275 165.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.32 109.87 13.43 Favored 'Isoleucine or valine' 0 C--N 1.376 1.721 0 N-CA-C 105.083 -2.191 . . . . 0.57 105.083 170.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.05 145.25 9.76 Favored 'Isoleucine or valine' 0 C--N 1.379 1.855 0 N-CA-C 104.607 -2.368 . . . . 0.57 104.607 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -124.0 150.02 45.35 Favored 'General case' 0 C--N 1.374 1.635 0 CA-C-O 123.268 1.509 . . . . 0.57 110.818 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' OE1' ' NZ ' ' A' ' 5' ' ' LYS . 6.5 mm-40 -142.39 103.54 4.28 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 104.243 -2.503 . . . . 0.91 104.243 -165.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.53 158.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 105.841 -1.911 . . . . 0.57 105.841 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 0.9 OUTLIER -161.25 121.19 2.64 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 106.13 -1.804 . . . . 0.57 106.13 165.338 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -85.12 130.55 34.59 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.413 -1.699 . . . . 0.57 106.413 169.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 41.8 m-20 -89.07 -36.21 15.89 Favored 'General case' 0 C--N 1.379 1.879 0 CA-C-O 123.474 1.607 . . . . 0.91 108.247 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.23 -95.13 0.1 OUTLIER Glycine 0 C--N 1.385 3.251 0 N-CA-C 106.37 -2.692 . . . . 0.57 106.37 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -94.8 -6.63 42.49 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 122.622 1.201 . . . . 0.57 110.646 162.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -97.45 157.16 16.14 Favored 'General case' 0 C--N 1.38 1.905 0 N-CA-C 106.407 -1.701 . . . . 0.57 106.407 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -139.05 145.78 40.0 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-O 123.677 1.703 . . . . 0.57 109.196 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -115.32 142.07 47.18 Favored 'General case' 0 C--N 1.374 1.67 0 N-CA-C 106.443 -1.688 . . . . 0.57 106.443 164.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -149.69 130.59 14.27 Favored 'General case' 0 C--N 1.374 1.657 0 N-CA-C 107.505 -1.294 . . . . 0.57 107.505 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m -148.19 154.32 39.95 Favored 'General case' 0 C--N 1.373 1.622 0 CA-C-O 123.722 1.725 . . . . 0.57 109.109 -175.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -139.07 149.42 44.56 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.468 -1.242 . . . . 0.57 108.266 173.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -105.35 129.69 53.63 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 122.478 1.133 . . . . 0.57 108.909 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -100.91 130.49 25.07 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 102.739 -3.06 . . . . 0.57 102.739 162.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.79 89.55 1.29 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 121.623 1.549 . . . . 0.57 108.865 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.64 32.93 0.27 Allowed Glycine 0 C--N 1.383 3.183 0 CA-C-N 113.445 -1.707 . . . . 0.57 115.238 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.26 34.3 14.82 Favored Glycine 0 C--N 1.383 3.15 0 C-N-CA 119.633 -1.27 . . . . 0.57 114.08 155.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -141.42 52.74 1.54 Allowed 'General case' 0 C--N 1.374 1.655 0 CA-C-O 123.272 1.511 . . . . 0.57 107.115 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 p -69.97 145.75 51.62 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-N 113.248 -1.796 . . . . 0.57 109.735 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.406 HG23 HG21 ' A' ' 73' ' ' THR . 24.6 mm -96.09 149.86 4.55 Favored 'Isoleucine or valine' 0 C--N 1.377 1.793 0 N-CA-C 105.1 -2.185 . . . . 0.57 105.1 175.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.3 m -155.66 144.16 20.26 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 106.964 -1.495 . . . . 0.57 106.964 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 143.34 14.84 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.753 -1.573 . . . . 0.57 106.753 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.4 m -116.33 143.25 45.79 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 105.317 -2.105 . . . . 0.57 105.317 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -157.67 155.6 30.29 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-O 123.353 1.549 . . . . 0.57 110.084 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -108.96 141.24 41.33 Favored 'General case' 0 C--N 1.374 1.646 0 N-CA-C 107.056 -1.461 . . . . 0.57 107.056 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.9 mm -83.03 142.23 13.84 Favored 'Isoleucine or valine' 0 C--N 1.372 1.584 0 CA-C-O 122.808 1.289 . . . . 0.57 109.285 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.69 31.56 Favored Glycine 0 C--N 1.377 2.831 0 CA-C-N 113.499 -1.682 . . . . 0.57 114.908 167.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -156.08 -160.68 1.03 Allowed 'General case' 0 C--N 1.376 1.73 0 CA-C-O 122.632 1.206 . . . . 0.57 109.165 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 169.14 18.76 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-O 123.274 1.511 . . . . 0.91 109.373 166.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.5 m -149.24 166.39 29.04 Favored 'General case' 0 C--N 1.363 1.193 0 N-CA-C 104.745 -2.317 . . . . 0.57 104.745 148.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.418 ' OD1' ' NZ ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -88.44 136.59 32.91 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 106.487 -1.671 . . . . 0.91 106.487 167.047 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.9 mm -143.32 145.2 22.82 Favored 'Isoleucine or valine' 0 C--N 1.377 1.787 0 N-CA-C 107.839 -1.171 . . . . 0.57 107.839 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 73' ' ' THR . 0.9 OUTLIER -169.07 154.67 6.18 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 107.709 -1.219 . . . . 0.91 107.709 174.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.416 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 15.3 t -173.71 24.49 0.01 OUTLIER 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.289 -1.323 . . . . 0.57 113.828 136.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.499 ' O ' HG22 ' A' ' 74' ' ' ILE . 31.3 mm -136.5 51.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.8 0 CA-C-O 123.823 1.773 . . . . 0.57 110.579 -175.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.6 51.08 1.06 Allowed Glycine 0 C--N 1.38 2.983 0 N-CA-C 117.657 1.823 . . . . 0.57 117.657 149.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.01 4.04 78.89 Favored Glycine 0 C--N 1.371 2.509 0 CA-C-O 122.615 1.119 . . . . 0.57 114.906 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 62.66 6.09 Favored 'General case' 0 C--N 1.374 1.67 0 CA-C-O 123.874 1.797 . . . . 0.57 107.765 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 76.82 10.0 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.041 -1.89 . . . . 0.57 107.465 -175.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -76.56 147.83 37.43 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 113.772 -1.558 . . . . 0.57 109.429 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 20.7 ttmm -86.19 129.49 34.83 Favored 'General case' 0 C--N 1.385 2.134 0 N-CA-C 103.694 -2.706 . . . . 0.57 103.694 145.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.71 158.21 39.23 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 114.365 -1.289 . . . . 0.57 108.291 -170.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -88.23 145.99 25.59 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 114.564 -1.198 . . . . 0.57 108.22 172.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 p -149.28 129.86 4.45 Favored 'Isoleucine or valine' 0 C--N 1.376 1.741 0 CA-C-O 124.657 2.17 . . . . 0.57 108.459 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -163.57 164.0 24.35 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.951 -1.477 . . . . 0.57 108.869 -146.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.76 95.27 5.45 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 105.923 -1.881 . . . . 0.57 105.923 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -79.63 53.01 1.51 Allowed 'General case' 0 C--N 1.38 1.926 0 CA-C-O 123.351 1.548 . . . . 0.91 110.96 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.64 54.67 3.87 Favored Glycine 0 C--N 1.39 3.552 0 C-N-CA 118.898 -1.62 . . . . 0.57 114.156 157.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.31 -6.43 59.5 Favored Glycine 0 C--N 1.38 2.982 0 CA-C-O 123.032 1.351 . . . . 0.57 112.403 -173.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.51 ' NZ ' ' OE1' ' A' ' 102' ' ' GLU . 35.8 mttm -119.03 135.53 54.58 Favored 'General case' 0 C--N 1.369 1.444 0 N-CA-C 105.654 -1.98 . . . . 0.57 105.654 177.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.5 t -80.07 156.64 4.52 Favored 'Isoleucine or valine' 0 C--N 1.367 1.368 0 N-CA-C 105.14 -2.17 . . . . 0.57 105.14 158.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -154.37 143.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.373 1.587 0 CA-C-O 122.703 1.24 . . . . 0.57 110.791 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.49 137.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.382 1.989 0 N-CA-C 106.14 -1.8 . . . . 0.57 106.14 156.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -132.1 143.73 50.22 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-O 122.881 1.324 . . . . 0.57 108.42 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.25 169.8 9.88 Favored Pre-proline 0 C--N 1.372 1.573 0 N-CA-C 106.006 -1.849 . . . . 0.57 106.006 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.99 -27.88 85.88 Favored 'Trans proline' 0 C--N 1.382 2.329 0 N-CA-C 118.66 2.523 . . . . 0.57 118.66 -155.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -139.19 40.18 2.1 Favored 'General case' 0 C--N 1.373 1.599 0 CA-C-O 123.888 1.804 . . . . 0.57 110.228 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -156.85 96.6 1.63 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-N 112.814 -1.994 . . . . 0.57 107.773 -169.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.53 145.93 28.36 Favored 'General case' 0 C--N 1.377 1.768 0 N-CA-C 105.71 -1.959 . . . . 0.57 105.71 172.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.477 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 19.5 t60 -154.82 90.68 1.32 Allowed 'General case' 0 C--N 1.378 1.844 0 C-N-CA 119.725 -0.79 . . . . 0.57 108.892 -175.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.7 p -86.66 159.28 19.24 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 123.052 1.406 . . . . 0.57 111.134 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.96 129.56 18.04 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 113.727 -1.579 . . . . 0.57 106.871 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.51 ' OE1' ' NZ ' ' A' ' 89' ' ' LYS . 9.1 pt-20 -158.72 153.11 24.16 Favored 'General case' 0 C--N 1.373 1.605 0 CA-C-O 123.573 1.654 . . . . 0.91 111.431 -157.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.37 137.82 38.16 Favored 'Isoleucine or valine' 0 C--N 1.373 1.61 0 CA-C-N 114.421 -1.263 . . . . 0.57 108.813 -167.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . 0.28 20.2 t -124.24 -119.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.908 0 N-CA-C 106.442 -1.688 . . . . 0.57 106.442 170.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.483 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 13.0 p-10 -78.56 40.75 0.38 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 125.313 2.482 . . . . 0.91 111.404 -176.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 67.56 16.92 68.23 Favored Glycine 0 C--N 1.378 2.902 0 O-C-N 120.097 -1.627 . . . . 0.57 110.336 -169.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.483 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 47.4 mttm -74.22 140.64 45.2 Favored 'General case' 0 C--N 1.393 2.495 0 N-CA-C 104.993 -2.225 . . . . 0.57 104.993 146.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.03 102.73 14.56 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 101.184 -3.636 . . . . 0.57 101.184 155.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.6 151.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.372 1.554 0 N-CA-C 105.21 -2.144 . . . . 0.57 105.21 170.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.477 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 37.2 tt0 -147.53 142.0 26.44 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 105.841 -1.911 . . . . 0.91 105.841 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.3 t -140.27 104.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.632 0 N-CA-C 106.46 -1.682 . . . . 0.57 106.46 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.29 153.95 29.49 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 123.492 1.615 . . . . 0.57 107.508 159.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 15.6 m -153.83 107.42 2.97 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 105.77 -1.937 . . . . 0.57 105.77 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.3 159.16 2.87 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 CA-C-N 112.309 -2.223 . . . . 0.57 105.311 170.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.88 91.68 0.35 Allowed Glycine 0 C--N 1.373 2.622 0 N-CA-C 108.947 -1.661 . . . . 0.57 108.947 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.92 9.07 7.68 Favored Glycine 0 C--N 1.379 2.965 0 N-CA-C 116.692 1.437 . . . . 0.57 116.692 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -169.25 148.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.806 0 CA-C-O 122.547 1.165 . . . . 0.57 110.766 158.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 p -87.97 161.7 17.27 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 123.627 1.679 . . . . 0.57 109.273 164.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -152.68 86.37 1.26 Allowed 'General case' 0 C--N 1.373 1.625 0 N-CA-C 105.718 -1.956 . . . . 0.57 105.718 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -86.13 147.81 25.98 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 111.596 -2.547 . . . . 0.91 107.384 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -152.23 132.22 13.4 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 112.029 -2.351 . . . . 1.2 105.745 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.26 117.54 53.79 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 106.344 -1.724 . . . . 0.57 106.344 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.1 m -110.13 156.28 20.8 Favored 'General case' 0 C--N 1.377 1.782 0 CA-C-N 114.435 -1.257 . . . . 0.57 108.008 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.483 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 1.8 tmtm? -131.39 153.5 49.6 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 123.443 1.592 . . . . 0.57 107.32 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -84.21 70.03 10.51 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 124.074 1.892 . . . . 0.57 108.508 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.34 73.61 10.45 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 103.37 -2.826 . . . . 0.57 103.37 168.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.569 0 CA-C-N 111.766 -2.47 . . . . 0.66 112.316 -164.244 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 123.955 1.836 . . . . 1.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.62 -22.26 51.04 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 113.28 -1.782 . . . . 1.0 111.86 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -74.67 160.72 30.44 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.516 1.627 . . . . 1.0 110.31 -175.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.49 14.94 Favored Glycine 0 C--N 1.372 2.529 0 CA-C-N 114.29 -1.323 . . . . 1.0 110.495 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.523 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 51.9 tttp -99.47 116.73 32.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 105.688 -1.967 . . . . 1.0 105.688 171.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -98.03 150.13 21.72 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 114.073 -1.421 . . . . 1.0 109.151 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.513 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 5.8 tt0 -107.7 152.87 23.74 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 113.166 -1.833 . . . . 1.0 106.157 159.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.91 130.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 N-CA-C 105.145 -2.169 . . . . 1.0 105.145 168.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' OE1' ' NZ ' ' A' ' 107' ' ' LYS . 23.2 tt0 -82.23 -48.36 11.35 Favored 'General case' 0 C--N 1.376 1.747 0 N-CA-C 107.029 -1.471 . . . . 1.0 107.029 176.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -170.66 154.15 4.37 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-O 121.707 0.765 . . . . 1.0 109.378 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.35 153.24 42.11 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 105.741 -1.948 . . . . 1.0 105.741 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 120' ' ' GLU . 32.4 ttmt -98.68 -47.88 5.17 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 119.218 -0.993 . . . . 1.0 110.307 -177.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -125.47 37.97 4.27 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 124.496 2.093 . . . . 1.0 111.266 -155.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.08 -43.32 87.69 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 112.818 -1.992 . . . . 1.0 109.761 -171.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.411 ' OD2' ' NE ' ' A' ' 32' ' ' ARG . 15.1 t70 -65.77 -51.92 55.16 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 122.449 1.119 . . . . 1.0 108.215 -165.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -71.3 -21.39 62.08 Favored 'General case' 0 C--N 1.382 2.009 0 CA-C-N 114.813 -1.085 . . . . 1.0 113.063 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.372 1.55 0 CA-C-O 122.314 1.054 . . . . 1.0 108.502 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 60.4 mmm -66.0 -23.79 66.64 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-O 121.915 0.864 . . . . 1.0 110.23 -174.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-O 122.91 1.338 . . . . 1.0 108.871 175.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -73.02 -15.07 61.53 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 122.329 1.062 . . . . 1.0 112.971 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.7 mt -86.41 -5.27 59.2 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-N 115.358 -0.837 . . . . 1.0 112.873 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.21 47.16 4.2 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-O 123.662 1.696 . . . . 1.0 110.252 169.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -102.29 159.51 29.15 Favored Pre-proline 0 C--N 1.377 1.787 0 CA-C-N 113.04 -1.891 . . . . 1.0 111.303 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.06 161.88 37.87 Favored 'Trans proline' 0 C--N 1.381 2.271 0 CA-C-O 123.358 1.316 . . . . 1.0 108.811 176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 t -58.29 -34.44 70.55 Favored 'General case' 0 C--N 1.387 2.238 0 CA-C-N 113.781 -1.554 . . . . 1.0 110.021 -171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.507 ' OD2' ' NE2' ' A' ' 57' ' ' HIS . 32.4 t70 -60.27 -38.51 83.77 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.197 1.951 . . . . 1.0 108.426 -169.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.32 -22.53 64.7 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 118.711 -1.196 . . . . 1.0 113.522 -178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.1 mt -89.76 -48.94 14.2 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-O 121.688 0.756 . . . . 1.0 109.066 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.29 4.0 p30 -76.79 -9.97 59.05 Favored 'General case' 0 C--N 1.374 1.632 0 N-CA-C 115.078 1.51 . . . . 1.0 115.078 -167.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.41 -9.44 59.6 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 118.847 -1.141 . . . . 1.0 111.127 170.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.86 36.81 3.07 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 123.026 1.393 . . . . 1.0 112.719 174.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' NE ' ' OD2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -74.6 82.17 2.02 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 123.522 1.629 . . . . 1.0 109.21 171.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 88.98 29.8 0.02 OUTLIER 'General case' 0 C--N 1.379 1.887 0 CA-C-N 112.976 -1.92 . . . . 1.0 113.498 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -91.75 155.29 18.37 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 123.814 1.769 . . . . 1.0 110.878 164.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 7.6 mtpm? -88.74 107.17 18.81 Favored 'General case' 0 C--N 1.378 1.84 0 N-CA-C 104.183 -2.525 . . . . 1.0 104.183 168.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -69.17 146.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-O 123.61 1.671 . . . . 1.0 107.117 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.65 158.66 4.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 N-CA-C 106.068 -1.826 . . . . 1.0 106.068 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 141.07 25.08 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 121.439 -0.788 . . . . 1.0 109.656 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.523 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 5.2 mp0 -102.36 149.37 24.42 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 107.638 -1.245 . . . . 1.0 107.638 157.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -136.19 141.66 40.87 Favored 'Isoleucine or valine' 0 C--N 1.373 1.602 0 N-CA-C 106.304 -1.739 . . . . 1.0 106.304 170.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 26.7 ttpp -141.06 142.09 34.2 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 106.546 -1.65 . . . . 1.0 106.546 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -112.88 98.19 7.03 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 105.976 -1.861 . . . . 1.0 105.976 -176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 13.6 m-20 -87.01 67.11 9.69 Favored 'General case' 0 C--N 1.368 1.389 0 CA-C-O 124.49 2.09 . . . . 1.0 106.237 -176.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.0 -111.86 4.06 Favored Glycine 0 C--N 1.381 3.059 0 CA-C-N 113.804 -1.543 . . . . 1.0 110.039 -170.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -95.15 -14.05 24.49 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.569 -1.316 . . . . 1.0 112.32 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -81.11 155.57 26.2 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 107.112 -1.44 . . . . 1.0 107.112 166.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -131.75 126.0 33.37 Favored 'General case' 0 C--N 1.362 1.15 0 N-CA-C 105.498 -2.038 . . . . 1.0 105.498 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.5 m -96.15 143.58 27.15 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 106.221 -1.77 . . . . 1.0 106.221 164.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -149.29 110.77 4.47 Favored 'General case' 0 C--N 1.373 1.615 0 N-CA-C 107.025 -1.472 . . . . 1.0 107.025 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 30.9 t -103.06 144.6 31.08 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 122.186 0.994 . . . . 1.0 109.317 171.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.94 149.72 38.3 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 106.725 -1.583 . . . . 1.0 106.725 162.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -139.77 132.31 28.7 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.205 1.479 . . . . 1.0 108.141 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.83 134.03 31.19 Favored Pre-proline 0 C--N 1.375 1.684 0 N-CA-C 103.927 -2.62 . . . . 1.0 103.927 169.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -80.73 76.21 4.64 Favored 'Trans proline' 0 C--N 1.371 1.736 0 CA-C-O 124.386 1.744 . . . . 1.0 107.787 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -175.83 -69.82 0.05 OUTLIER Glycine 0 C--N 1.38 2.979 0 CA-C-N 113.327 -1.76 . . . . 1.0 110.91 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.76 17.13 0.04 OUTLIER Glycine 0 C--N 1.39 3.572 0 C-N-CA 116.784 -2.627 . . . . 1.0 117.851 -168.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.507 ' NE2' ' OD2' ' A' ' 26' ' ' ASP . 4.2 m-70 -134.59 161.51 34.89 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 107.003 -1.48 . . . . 1.0 107.003 165.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -162.18 151.32 15.58 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 106.763 -1.569 . . . . 1.0 106.763 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.9 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 N-CA-C 104.235 -2.505 . . . . 1.0 104.235 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 50' ' ' SER . 1.6 t -142.55 164.06 31.14 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 108.636 -0.875 . . . . 1.0 108.636 160.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.37 149.34 17.13 Favored 'General case' 0 C--N 1.367 1.366 0 N-CA-C 107.419 -1.326 . . . . 1.0 107.419 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 m -110.8 144.4 39.86 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.306 -1.738 . . . . 1.0 106.306 165.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -151.27 165.18 34.78 Favored 'General case' 0 C--N 1.367 1.335 0 CA-C-O 122.321 1.057 . . . . 1.0 108.473 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -118.71 139.73 51.07 Favored 'General case' 0 C--N 1.375 1.698 0 CA-C-O 122.464 1.126 . . . . 1.0 109.445 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.1 mm -78.06 139.0 19.26 Favored 'Isoleucine or valine' 0 C--N 1.377 1.768 0 N-CA-C 107.324 -1.362 . . . . 1.0 107.324 170.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.75 47.38 Favored Glycine 0 C--N 1.378 2.915 0 CA-C-N 115.224 -0.898 . . . . 1.0 113.543 173.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.562 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 11.3 tttm -154.18 169.07 24.47 Favored 'General case' 0 C--N 1.373 1.598 0 CA-C-O 122.933 1.349 . . . . 1.0 107.874 -174.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -83.37 168.14 16.88 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-O 123.523 1.63 . . . . 1.0 108.545 157.377 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 7.3 p -155.11 163.44 40.25 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-N 113.996 -1.457 . . . . 1.0 107.302 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.86 119.41 39.36 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 104.423 -2.436 . . . . 1.0 104.423 169.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.7 mm -101.81 145.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.374 1.631 0 N-CA-C 105.356 -2.091 . . . . 1.0 105.356 166.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -140.35 173.09 11.85 Favored 'General case' 0 C--N 1.375 1.691 0 CA-C-O 123.441 1.591 . . . . 1.0 108.35 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.317 4.2 p 84.59 -147.75 0.01 OUTLIER 'General case' 0 C--N 1.376 1.718 0 CA-C-N 113.996 -1.457 . . . . 1.0 109.651 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.263 43.8 mm 55.98 45.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.169 0 CA-C-O 125.254 2.454 . . . . 1.0 109.357 172.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.91 7.96 55.97 Favored Glycine 0 C--N 1.382 3.12 0 CA-C-N 112.831 -1.986 . . . . 1.0 114.287 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.11 27.59 27.9 Favored Glycine 0 C--N 1.377 2.847 0 CA-C-O 122.344 0.969 . . . . 1.0 114.623 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 105.99 18.14 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 106.873 -1.528 . . . . 1.0 106.873 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -81.01 114.93 20.22 Favored 'General case' 0 C--N 1.376 1.723 0 N-CA-C 104.987 -2.227 . . . . 1.0 104.987 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.11 124.18 39.99 Favored 'General case' 0 C--N 1.371 1.52 0 N-CA-C 107.322 -1.362 . . . . 1.0 107.322 -177.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -75.98 154.92 35.48 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.653 1.692 . . . . 1.0 109.128 161.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -157.51 149.96 22.81 Favored 'General case' 0 C--N 1.372 1.573 0 CA-C-N 112.788 -2.006 . . . . 1.0 108.509 -172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -106.76 144.44 33.41 Favored 'General case' 0 C--N 1.375 1.69 0 N-CA-C 107.077 -1.453 . . . . 1.0 107.077 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.24 131.52 55.18 Favored 'Isoleucine or valine' 0 C--N 1.374 1.664 0 CA-C-O 123.77 1.748 . . . . 1.0 108.776 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -126.85 170.07 12.59 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 124.028 1.871 . . . . 1.0 108.227 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.4 ttt -132.02 147.74 52.47 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 105.292 -2.114 . . . . 1.0 105.292 170.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.375 0.0 OUTLIER -101.16 -148.8 0.37 Allowed 'General case' 0 C--N 1.374 1.663 0 N-CA-C 107.874 -1.158 . . . . 1.0 107.874 151.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.45 -39.15 15.55 Favored Glycine 0 C--N 1.371 2.526 0 C-N-CA 119.59 -1.29 . . . . 1.0 115.366 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.16 -11.31 37.03 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.176 -0.512 . . . . 1.0 114.368 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -144.12 131.73 21.16 Favored 'General case' 0 C--N 1.381 1.95 0 CA-C-O 122.854 1.312 . . . . 1.0 111.117 -156.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -87.84 147.92 4.94 Favored 'Isoleucine or valine' 0 C--N 1.378 1.843 0 N-CA-C 106.229 -1.767 . . . . 1.0 106.229 165.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.04 108.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.666 0 CA-C-O 123.245 1.497 . . . . 1.0 108.547 -176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.04 148.09 4.88 Favored 'Isoleucine or valine' 0 C--N 1.379 1.86 0 N-CA-C 106.517 -1.66 . . . . 1.0 106.517 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -147.29 151.99 37.54 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.172 -1.788 . . . . 1.0 106.172 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.25 168.55 6.52 Favored Pre-proline 0 C--N 1.367 1.366 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -80.86 3.27 7.91 Favored 'Trans proline' 0 C--N 1.38 2.191 0 N-CA-C 115.418 1.276 . . . . 1.0 115.418 -163.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.34 38.55 0.14 Allowed 'General case' 0 C--N 1.377 1.792 0 CA-C-O 124.653 2.168 . . . . 1.0 108.002 164.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -162.74 148.44 12.29 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-N 113.788 -1.551 . . . . 1.0 108.493 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -151.67 145.26 24.93 Favored 'General case' 0 C--N 1.369 1.417 0 N-CA-C 105.743 -1.947 . . . . 1.0 105.743 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.542 ' NE2' ' OE2' ' A' ' 110' ' ' GLU . 42.0 t60 -151.47 156.01 39.73 Favored 'General case' 0 C--N 1.373 1.617 0 N-CA-C 107.32 -1.363 . . . . 1.0 107.32 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.79 139.46 10.12 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 105.797 -1.927 . . . . 1.0 105.797 -162.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.6 119.29 3.68 Favored 'General case' 0 C--N 1.375 1.717 0 O-C-N 124.049 0.843 . . . . 1.0 110.021 -163.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -139.77 155.92 47.04 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-O 122.696 1.236 . . . . 1.0 113.48 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.5 mm -105.84 137.51 35.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.808 0 CA-C-N 114.193 -1.367 . . . . 1.0 111.186 -171.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -121.82 -115.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.383 2.038 0 N-CA-C 106.013 -1.847 . . . . 1.0 106.013 169.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 10.2 p-10 -79.96 46.86 0.83 Allowed 'General case' 0 C--N 1.365 1.241 0 CA-C-O 125.357 2.503 . . . . 1.0 111.621 -173.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.8 3.69 36.41 Favored Glycine 0 C--N 1.38 3.014 0 CA-C-N 114.054 -1.43 . . . . 1.0 111.962 -164.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.484 ' NZ ' ' OE1' ' A' ' 9' ' ' GLU . 6.3 tppt? -73.58 127.19 32.08 Favored 'General case' 0 C--N 1.374 1.64 0 N-CA-C 103.764 -2.68 . . . . 1.0 103.764 164.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.62 101.12 10.97 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 103.379 -2.823 . . . . 1.0 103.379 169.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.12 144.52 11.17 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 N-CA-C 105.179 -2.156 . . . . 1.0 105.179 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.542 ' OE2' ' NE2' ' A' ' 99' ' ' HIS . 2.3 mt-10 -143.57 146.24 33.16 Favored 'General case' 0 C--N 1.371 1.542 0 CA-C-O 122.96 1.362 . . . . 1.0 110.035 -176.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.9 t -143.3 126.54 13.32 Favored 'Isoleucine or valine' 0 C--N 1.38 1.916 0 N-CA-C 106.842 -1.54 . . . . 1.0 106.842 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -108.63 163.82 12.9 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.886 1.803 . . . . 1.0 110.721 166.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 86.4 m -153.06 111.47 3.68 Favored 'General case' 0 C--N 1.372 1.552 0 N-CA-C 105.76 -1.941 . . . . 1.0 105.76 173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.82 175.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.373 1.601 0 N-CA-C 106.07 -1.826 . . . . 1.0 106.07 174.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.33 89.5 0.27 Allowed Glycine 0 C--N 1.374 2.644 0 CA-C-O 123.057 1.365 . . . . 1.0 110.014 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.64 -8.98 10.79 Favored Glycine 0 C--N 1.379 2.955 0 N-CA-C 117.528 1.771 . . . . 1.0 117.528 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.7 t -145.19 141.1 22.81 Favored 'Isoleucine or valine' 0 C--N 1.375 1.705 0 CA-C-O 122.562 1.173 . . . . 1.0 108.476 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.3 p -98.0 156.82 16.45 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.73 1.253 . . . . 1.0 109.165 162.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -155.06 117.94 4.35 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 106.61 -1.626 . . . . 1.0 106.61 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' A' ' 12' ' ' LYS . 3.9 pm0 -119.81 152.45 37.25 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 124.158 1.933 . . . . 1.0 110.961 -177.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -155.99 164.14 38.84 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-N 112.696 -2.047 . . . . 1.0 111.649 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.32 118.22 52.0 Favored 'Isoleucine or valine' 0 C--N 1.372 1.568 0 CA-C-N 112.722 -2.035 . . . . 1.0 106.546 170.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.0 m -102.04 168.06 9.64 Favored 'General case' 0 C--N 1.377 1.773 0 CA-C-O 123.265 1.507 . . . . 1.0 108.677 163.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' A' ' 105' ' ' ASP . 15.5 tppt? -147.21 123.2 10.72 Favored 'General case' 0 C--N 1.371 1.517 0 N-CA-C 106.65 -1.611 . . . . 1.0 106.65 -170.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -75.96 118.88 19.2 Favored 'General case' 0 C--N 1.378 1.843 0 N-CA-C 105.681 -1.97 . . . . 1.0 105.681 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.5 tp -142.22 7.9 1.8 Allowed 'General case' 0 C--N 1.376 1.725 0 CA-C-O 123.991 1.853 . . . . 1.0 110.888 -170.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.668 0 CA-C-O 127.932 3.73 . . . . 1.0 110.838 -174.53 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 125.576 2.608 . . . . 1.0 108.476 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -69.78 -30.88 68.54 Favored 'General case' 0 C--N 1.391 2.393 0 CA-C-N 110.885 -2.87 . . . . 1.0 111.25 -162.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -65.29 150.03 48.94 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-O 122.897 1.332 . . . . 1.0 111.9 -159.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -172.15 22.03 Favored Glycine 0 C--N 1.379 2.937 0 CA-C-O 122.912 1.284 . . . . 1.0 114.042 173.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 49.3 tttp -94.61 145.8 24.57 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.255 -1.473 . . . . 1.0 107.178 173.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -143.97 166.76 24.04 Favored 'General case' 0 C--N 1.37 1.493 0 CA-C-O 123.998 1.856 . . . . 1.0 109.609 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.491 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 3.4 tm-20 -151.84 136.34 16.9 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 113.482 -1.69 . . . . 1.0 108.865 -178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.6 mt -86.68 135.04 26.01 Favored 'Isoleucine or valine' 0 C--N 1.374 1.643 0 CA-C-N 113.712 -1.586 . . . . 1.0 110.571 -167.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.76 -51.28 8.82 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-N 113.19 -1.823 . . . . 1.0 109.16 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.3 t -167.73 170.75 10.65 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-O 123.063 1.411 . . . . 1.0 109.827 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -130.69 89.91 2.83 Favored 'General case' 0 C--N 1.373 1.613 0 CA-C-N 112.577 -2.102 . . . . 1.0 105.742 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' NZ ' ' OE1' ' A' ' 120' ' ' GLU . 1.3 ptmm? -80.56 43.41 0.66 Allowed 'General case' 0 C--N 1.381 1.949 0 N-CA-C 115.207 1.558 . . . . 1.0 115.207 -166.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -164.21 -81.79 0.03 OUTLIER 'General case' 0 C--N 1.375 1.69 0 N-CA-C 106.436 -1.69 . . . . 1.0 106.436 157.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.3 t80 71.1 -55.32 0.65 Allowed 'General case' 0 C--N 1.375 1.715 0 C-N-CA 125.622 1.569 . . . . 1.0 110.387 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.88 -53.63 17.14 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-O 122.591 1.186 . . . . 1.0 108.357 -163.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -75.46 -5.23 44.0 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-N 115.257 -0.883 . . . . 1.0 113.03 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -80.08 -51.82 8.55 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 122.5 1.143 . . . . 1.0 108.734 166.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 80.7 mmm -68.29 -30.38 69.37 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 122.222 1.011 . . . . 1.0 110.404 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -68.05 -38.78 82.85 Favored 'General case' 0 C--N 1.384 2.074 0 CA-C-O 123.854 1.788 . . . . 1.0 108.431 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -28.12 65.7 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-N 113.11 -1.859 . . . . 1.0 113.21 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -76.97 -17.59 58.78 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.5 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 81.16 39.28 0.07 Allowed 'General case' 0 C--N 1.374 1.655 0 C-N-CA 126.013 1.725 . . . . 1.0 112.549 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.9 mt -104.25 157.31 34.3 Favored Pre-proline 0 C--N 1.379 1.851 0 CA-C-N 114.265 -1.334 . . . . 1.0 110.096 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -88.2 156.65 6.91 Favored 'Trans proline' 0 C--N 1.386 2.533 0 CA-C-O 124.203 1.668 . . . . 1.0 113.766 -162.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 p -82.03 57.63 3.6 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-O 123.976 1.846 . . . . 1.0 110.515 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.499 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 33.8 t70 -139.06 -46.62 0.47 Allowed 'General case' 0 C--N 1.378 1.811 0 N-CA-C 104.418 -2.438 . . . . 1.0 104.418 160.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.98 -34.36 75.18 Favored 'General case' 0 C--N 1.39 2.344 0 CA-C-N 113.429 -1.714 . . . . 1.0 110.235 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.55 -44.27 70.72 Favored 'Isoleucine or valine' 0 C--N 1.378 1.805 0 N-CA-C 107.164 -1.421 . . . . 1.0 107.164 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -30.81 64.37 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.746 -161.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' NZ ' ' OD1' ' A' ' 26' ' ' ASP . 57.0 mttp -77.61 -19.05 56.18 Favored 'General case' 0 C--N 1.377 1.781 0 CA-C-N 115.114 -0.948 . . . . 1.0 112.026 175.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.92 -29.37 13.35 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 114.892 1.441 . . . . 1.0 114.892 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -76.36 29.05 0.12 Allowed 'General case' 0 C--N 1.382 1.997 0 N-CA-C 117.199 2.296 . . . . 1.0 117.199 -156.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.89 32.99 0.26 Allowed 'General case' 0 C--N 1.37 1.479 0 CA-C-O 123.761 1.743 . . . . 1.0 109.32 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.4 mt -98.27 168.42 10.24 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.515 2.103 . . . . 1.0 112.229 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -139.14 91.17 2.49 Favored 'General case' 0 C--N 1.381 1.961 0 CA-C-N 112.402 -2.181 . . . . 1.0 105.937 -177.564 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.42 149.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.375 1.699 0 CA-C-N 113.132 -1.849 . . . . 1.0 110.178 -172.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mm -99.77 154.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.385 2.137 0 N-CA-C 106.266 -1.753 . . . . 1.0 106.266 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.9 147.43 27.19 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.552 1.168 . . . . 1.0 113.674 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -117.62 155.3 30.11 Favored 'General case' 0 C--N 1.379 1.891 0 N-CA-C 106.875 -1.528 . . . . 1.0 106.875 172.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.2 113.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.498 0 CA-C-O 123.223 1.487 . . . . 1.0 107.054 164.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -101.76 141.43 34.64 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-N 113.197 -1.819 . . . . 1.0 106.148 172.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -93.32 145.12 24.69 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 106.366 -1.716 . . . . 1.0 106.366 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -110.09 -34.59 6.35 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-O 122.346 1.069 . . . . 1.0 109.141 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.94 -103.63 0.18 Allowed Glycine 0 C--N 1.378 2.892 0 N-CA-C 107.729 -2.148 . . . . 1.0 107.729 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -80.61 -16.96 52.78 Favored 'General case' 0 C--N 1.381 1.935 0 CA-C-O 123.396 1.57 . . . . 1.0 109.278 162.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.4 OUTLIER -93.41 153.88 18.25 Favored 'General case' 0 C--N 1.372 1.546 0 CA-C-O 122.909 1.338 . . . . 1.0 109.19 177.015 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.52 155.66 42.01 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 113.193 -1.821 . . . . 1.0 106.463 169.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.5 m -123.36 103.15 8.31 Favored 'General case' 0 C--N 1.369 1.429 0 N-CA-C 105.347 -2.094 . . . . 1.0 105.347 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -93.15 145.65 24.25 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.927 -1.942 . . . . 1.0 106.282 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.2 t -147.88 146.11 28.93 Favored 'General case' 0 C--N 1.372 1.547 0 CA-C-O 122.43 1.109 . . . . 1.0 108.278 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.65 131.64 45.0 Favored 'General case' 0 C--N 1.371 1.521 0 N-CA-C 106.562 -1.644 . . . . 1.0 106.562 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.61 119.03 34.34 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 106.489 -1.671 . . . . 1.0 106.489 164.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -77.33 151.46 80.94 Favored Pre-proline 0 C--N 1.377 1.775 0 N-CA-C 104.377 -2.453 . . . . 1.0 104.377 166.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -72.25 95.02 0.75 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 CA-C-O 124.542 1.809 . . . . 1.0 110.097 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.24 -55.49 4.94 Favored Glycine 0 C--N 1.381 3.029 0 CA-C-N 112.821 -1.991 . . . . 1.0 113.226 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.52 -9.16 87.26 Favored Glycine 0 C--N 1.382 3.091 0 N-CA-C 117.185 1.634 . . . . 1.0 117.185 -156.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.77 167.25 6.42 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-O 123.432 1.587 . . . . 1.0 109.64 176.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.2 p -113.03 161.7 16.74 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 106.68 -1.6 . . . . 1.0 106.68 152.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.9 mt -129.48 142.03 44.99 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 N-CA-C 102.378 -3.194 . . . . 1.0 102.378 169.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -163.5 148.06 10.83 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.903 -1.748 . . . . 1.0 108.03 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.66 144.44 20.47 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 107.716 -1.216 . . . . 1.0 107.716 164.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.0 m -84.36 146.89 27.46 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 104.936 -2.246 . . . . 1.0 104.936 160.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -151.97 159.92 43.63 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 108.111 -1.07 . . . . 1.0 108.111 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 5.7 m -132.57 131.77 41.85 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-O 122.555 1.169 . . . . 1.0 111.151 -174.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.81 114.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.377 1.772 0 CA-C-N 114.537 -1.211 . . . . 1.0 108.468 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.79 -6.6 57.14 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 114.336 -1.302 . . . . 1.0 115.723 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 24.3 tttm -100.95 161.41 13.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-O 122.882 1.325 . . . . 1.0 108.607 176.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -76.9 150.69 35.98 Favored 'General case' 0 C--N 1.385 2.126 0 CA-C-O 123.971 1.843 . . . . 1.0 109.156 154.035 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 74.4 m -136.0 158.34 44.65 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 106.759 -1.571 . . . . 1.0 106.759 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.97 140.11 30.11 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 104.053 -2.573 . . . . 1.0 104.053 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.0 mm -149.87 132.48 6.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.502 0 N-CA-C 106.944 -1.502 . . . . 1.0 106.944 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -162.19 168.79 21.89 Favored 'General case' 0 C--N 1.374 1.642 0 CA-C-O 123.162 1.458 . . . . 1.0 107.263 149.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.17 -23.5 0.01 OUTLIER 'General case' 0 C--N 1.367 1.352 0 CA-C-N 113.705 -1.589 . . . . 1.0 115.242 171.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.95 -29.43 5.22 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 CA-C-O 121.848 0.832 . . . . 1.0 112.483 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -128.36 -6.93 4.59 Favored Glycine 0 C--N 1.375 2.714 0 CA-C-N 115.381 -0.827 . . . . 1.0 113.818 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.25 -12.34 55.08 Favored Glycine 0 C--N 1.374 2.683 0 N-CA-C 116.826 1.491 . . . . 1.0 116.826 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 2.9 ptpp? -86.22 25.99 1.1 Allowed 'General case' 0 C--N 1.374 1.659 0 N-CA-C 116.446 2.017 . . . . 1.0 116.446 -160.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.7 tttp 49.35 72.19 0.32 Allowed 'General case' 0 C--N 1.375 1.691 0 CA-C-N 113.142 -1.844 . . . . 1.0 113.741 163.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 155.61 33.63 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 123.929 1.823 . . . . 1.0 111.296 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 29.5 mmmt -90.79 156.52 17.99 Favored 'General case' 0 C--N 1.385 2.131 0 CA-C-N 113.675 -1.602 . . . . 1.0 106.836 161.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.49 141.73 20.52 Favored 'General case' 0 C--N 1.374 1.637 0 CA-C-N 114.667 -1.151 . . . . 1.0 109.052 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.5 m -92.43 114.28 26.79 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 105.775 -1.935 . . . . 1.0 105.775 167.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.9 t -99.1 138.25 24.1 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 CA-C-O 123.586 1.66 . . . . 1.0 107.012 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -156.99 167.44 30.47 Favored 'General case' 0 C--N 1.374 1.671 0 CA-C-O 124.785 2.231 . . . . 1.0 110.1 -162.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.39 135.15 47.3 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 103.277 -2.86 . . . . 1.0 103.277 165.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.592 ' OE2' ' NE2' ' A' ' 98' ' ' HIS . 2.6 tt0 -105.18 3.78 30.56 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 122.616 1.198 . . . . 1.0 110.214 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.79 87.17 1.98 Allowed Glycine 0 C--N 1.382 3.121 0 CA-C-O 122.86 1.256 . . . . 1.0 111.38 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.81 15.27 70.78 Favored Glycine 0 C--N 1.388 3.465 0 CA-C-N 113.66 -1.27 . . . . 1.0 114.756 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 4.6 ttmp? -173.65 101.84 0.11 Allowed 'General case' 0 C--N 1.374 1.673 0 N-CA-C 102.227 -3.249 . . . . 1.0 102.227 -133.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -81.45 156.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.466 0 N-CA-C 106.927 -1.509 . . . . 1.0 106.927 -175.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.4 p -149.47 139.9 16.49 Favored 'Isoleucine or valine' 0 C--N 1.377 1.798 0 CA-C-O 123.944 1.831 . . . . 1.0 111.801 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.4 t -112.35 103.12 14.94 Favored 'Isoleucine or valine' 0 C--N 1.376 1.733 0 N-CA-C 103.726 -2.694 . . . . 1.0 103.726 164.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -94.21 154.93 17.3 Favored 'General case' 0 C--N 1.378 1.822 0 N-CA-C 106.836 -1.542 . . . . 1.0 106.836 171.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.55 170.71 3.53 Favored Pre-proline 0 C--N 1.371 1.528 0 O-C-N 121.253 -0.904 . . . . 1.0 110.036 -167.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -62.21 103.9 0.32 Allowed 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.591 1.413 . . . . 1.0 111.516 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 67.36 32.7 5.72 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 123.558 1.647 . . . . 1.0 111.039 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -162.72 131.31 4.02 Favored 'General case' 0 C--N 1.384 2.085 0 CA-C-N 114.435 -1.257 . . . . 1.0 108.102 -169.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.592 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 8.7 t60 -144.06 135.74 26.04 Favored 'General case' 0 C--N 1.372 1.56 0 N-CA-C 106.196 -1.779 . . . . 1.0 106.196 -176.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -142.7 111.94 6.6 Favored 'General case' 0 C--N 1.374 1.655 0 N-CA-C 107.058 -1.46 . . . . 1.0 107.058 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 p -96.59 161.45 13.89 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-O 123.346 1.546 . . . . 1.0 110.846 173.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.18 155.27 46.51 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 113.43 -1.714 . . . . 1.0 108.597 161.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 1.1 mm-40 -148.31 156.41 42.5 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-N 114.705 -1.134 . . . . 1.0 109.369 -168.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.0 mm -120.65 99.39 7.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.658 0 CA-C-O 123.484 1.611 . . . . 1.0 107.948 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -83.46 -161.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.386 2.162 0 N-CA-C 104.711 -2.329 . . . . 1.0 104.711 162.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.68 78.33 0.07 Allowed 'General case' 0 C--N 1.378 1.812 0 CA-C-O 124.929 2.3 . . . . 1.0 111.7 -165.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 104' ' ' VAL . . . 67.49 3.81 28.09 Favored Glycine 0 C--N 1.386 3.355 0 CA-C-N 113.054 -1.885 . . . . 1.0 115.146 -172.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -92.23 125.93 37.1 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 105.331 -2.1 . . . . 1.0 105.331 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.2 tp -92.16 105.05 17.36 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 105.144 -2.169 . . . . 1.0 105.144 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.37 153.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 CA-C-O 123.212 1.482 . . . . 1.0 108.024 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -132.8 156.58 46.85 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 114.12 -1.4 . . . . 1.0 108.939 169.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.8 t -141.45 132.53 27.1 Favored 'Isoleucine or valine' 0 C--N 1.376 1.747 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 171.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 m -108.87 154.49 22.04 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 122.162 0.982 . . . . 1.0 109.356 159.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 94.0 m -144.29 128.62 17.85 Favored 'General case' 0 C--N 1.375 1.699 0 N-CA-C 106.062 -1.829 . . . . 1.0 106.062 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.03 47.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.745 0 CA-C-O 125.173 2.416 . . . . 1.0 108.18 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.95 -79.04 1.73 Allowed Glycine 0 C--N 1.379 2.936 0 CA-C-N 113.218 -1.81 . . . . 1.0 110.063 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -95.75 1.39 63.59 Favored Glycine 0 C--N 1.376 2.775 0 N-CA-C 116.569 1.388 . . . . 1.0 116.569 -174.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 38.5 t -144.14 148.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.373 1.599 0 N-CA-C 107.434 -1.321 . . . . 1.0 107.434 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -112.52 167.35 10.52 Favored 'General case' 0 C--N 1.38 1.919 0 CA-C-O 123.849 1.785 . . . . 1.0 109.676 166.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -158.87 98.23 1.47 Allowed 'General case' 0 C--N 1.373 1.591 0 N-CA-C 105.83 -1.915 . . . . 1.0 105.83 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 12.4 mp0 -97.31 155.6 16.81 Favored 'General case' 0 C--N 1.373 1.611 0 CA-C-O 123.824 1.773 . . . . 1.0 108.82 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -151.48 143.86 24.14 Favored 'General case' 0 C--N 1.375 1.683 0 CA-C-N 113.466 -1.697 . . . . 1.0 107.131 -168.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 42.0 t -127.78 136.57 60.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.84 0 CA-C-O 122.279 1.038 . . . . 1.0 108.28 -174.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.0 166.28 25.08 Favored 'General case' 0 C--N 1.376 1.76 0 CA-C-O 123.259 1.504 . . . . 1.0 109.639 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.48 163.11 33.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-O 122.799 1.285 . . . . 1.0 109.272 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -86.35 138.35 31.88 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-N 114.097 -1.41 . . . . 1.0 110.201 -168.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.9 mt -101.57 49.69 0.86 Allowed 'General case' 0 C--N 1.379 1.855 0 CA-C-O 124.648 2.166 . . . . 1.0 109.51 172.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.526 0 CA-C-O 125.168 2.414 . . . . 1.0 107.797 170.011 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GCH . . . . . 0.553 ' H40' ' H20' ' A' ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.515 ' N ' HE22 ' A' ' 42' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 124.123 1.916 . . . . 1.0 110.774 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.401 ' H ' ' H2 ' ' A' ' 1' ' ' ALA . 3.2 m-85 -82.26 -18.49 42.28 Favored 'General case' 0 C--N 1.376 1.749 0 CA-C-N 113.151 -1.841 . . . . 1.0 112.621 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.3 m -62.27 152.9 32.27 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-O 124.481 2.086 . . . . 1.0 111.757 -162.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.55 -178.53 19.28 Favored Glycine 0 C--N 1.377 2.816 0 CA-C-N 113.737 -1.574 . . . . 1.0 112.831 169.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 42.7 tttp -90.3 149.52 22.31 Favored 'General case' 0 C--N 1.38 1.93 0 N-CA-C 105.829 -1.915 . . . . 1.0 105.829 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -141.36 152.55 44.47 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 107.917 -1.142 . . . . 1.0 107.917 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.532 ' OE2' ' NZ ' ' A' ' 35' ' ' LYS . 1.8 tt0 -127.11 161.83 27.53 Favored 'General case' 0 C--N 1.37 1.472 0 N-CA-C 108.067 -1.086 . . . . 1.0 108.067 170.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.424 HD12 ' HB ' ' A' ' 36' ' ' ILE . 7.9 mt -81.73 134.64 26.63 Favored 'Isoleucine or valine' 0 C--N 1.375 1.685 0 CA-C-O 123.237 1.494 . . . . 1.0 110.606 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -86.49 -51.23 6.32 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-N 113.524 -1.671 . . . . 1.0 109.347 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -164.32 159.19 19.57 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 122.414 1.102 . . . . 1.0 111.11 -168.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -149.93 168.98 22.25 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 126.7 2.0 . . . . 1.0 107.104 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 120' ' ' GLU . 2.6 ttpm? -141.16 -38.99 0.41 Allowed 'General case' 0 C--N 1.383 2.063 0 CA-C-N 114.56 -1.2 . . . . 1.0 111.657 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -114.07 14.83 18.39 Favored 'General case' 0 C--N 1.382 1.988 0 CA-C-O 122.61 1.195 . . . . 1.0 114.087 -157.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -61.13 -46.45 90.51 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 122.63 1.205 . . . . 1.0 109.795 -166.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.52 -45.14 73.06 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-O 123.216 1.484 . . . . 1.0 107.773 -167.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -65.49 -34.04 77.33 Favored 'General case' 0 C--N 1.385 2.138 0 CA-C-N 114.113 -1.403 . . . . 1.0 111.548 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -67.05 -45.57 76.98 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-O 122.368 1.08 . . . . 1.0 109.067 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 64.7 mmm -68.64 -26.64 65.43 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.79 0.805 . . . . 1.0 110.618 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-O 122.307 1.051 . . . . 1.0 110.018 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -70.95 -31.2 67.71 Favored 'General case' 0 C--N 1.384 2.097 0 CA-C-N 115.043 -0.98 . . . . 1.0 112.813 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.5 -30.05 61.66 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.758 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 74.56 46.86 0.14 Allowed 'General case' 0 C--N 1.376 1.721 0 CA-C-O 123.646 1.688 . . . . 1.0 112.607 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.1 157.18 78.83 Favored Pre-proline 0 C--N 1.386 2.193 0 CA-C-N 113.834 -1.53 . . . . 1.0 108.735 166.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -74.18 154.47 46.74 Favored 'Trans proline' 0 C--N 1.381 2.28 0 CA-C-O 124.345 1.727 . . . . 1.0 109.682 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.3 m -62.77 -35.37 79.6 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 117.831 -1.548 . . . . 1.0 114.52 -153.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.433 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 21.2 t0 -74.71 -30.1 61.41 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-O 122.784 1.278 . . . . 1.0 110.579 -177.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.9 -22.4 64.17 Favored 'General case' 0 C--N 1.385 2.136 0 C-N-CA 118.942 -1.103 . . . . 1.0 111.707 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.5 mt -77.0 -48.34 25.43 Favored 'Isoleucine or valine' 0 C--N 1.38 1.899 0 N-CA-C 108.173 -1.047 . . . . 1.0 108.173 168.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.496 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 38.6 t70 -62.59 -39.89 95.16 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-O 122.941 1.353 . . . . 1.0 110.05 -166.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' NZ ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -80.11 16.95 1.09 Allowed 'General case' 0 C--N 1.378 1.815 0 N-CA-C 113.458 0.91 . . . . 1.0 113.458 -175.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.26 13.13 4.22 Favored 'General case' 0 C--N 1.376 1.72 0 N-CA-C 114.789 1.403 . . . . 1.0 114.789 158.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.496 ' NH1' ' OD1' ' A' ' 29' ' ' ASP . 63.4 mtt180 -73.53 142.16 46.71 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-O 124.881 2.276 . . . . 1.0 111.005 173.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.78 98.02 11.53 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 104.371 -2.455 . . . . 1.0 104.371 -65.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.59 157.41 36.72 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 124.628 2.156 . . . . 1.0 110.423 -171.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.532 ' NZ ' ' OE2' ' A' ' 7' ' ' GLU . 6.7 mtpm? -79.35 86.42 5.08 Favored 'General case' 0 C--N 1.384 2.079 0 N-CA-C 106.166 -1.79 . . . . 1.0 106.166 172.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.424 ' HB ' HD12 ' A' ' 8' ' ' ILE . 79.1 mt -72.38 137.53 23.34 Favored 'Isoleucine or valine' 0 C--N 1.38 1.896 0 N-CA-C 104.886 -2.264 . . . . 1.0 104.886 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.55 148.2 10.3 Favored 'Isoleucine or valine' 0 C--N 1.376 1.753 0 N-CA-C 104.231 -2.507 . . . . 1.0 104.231 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.44 150.33 47.54 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-O 123.025 1.393 . . . . 1.0 111.233 -178.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -124.17 151.03 44.51 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 106.363 -1.718 . . . . 1.0 106.363 176.526 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.64 133.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.371 1.542 0 CA-C-N 113.968 -1.469 . . . . 1.0 108.416 164.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' NZ ' ' OD1' ' A' ' 43' ' ' ASP . 44.3 tttm -118.27 142.98 46.93 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-N 113.721 -1.582 . . . . 1.0 106.865 167.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.515 HE22 ' N ' ' A' ' 1' ' ' ALA . 10.9 mt-30 -94.55 145.75 24.59 Favored 'General case' 0 C--N 1.378 1.808 0 CA-C-N 114.569 -1.196 . . . . 1.0 108.272 166.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.572 ' OD1' ' NZ ' ' A' ' 41' ' ' LYS . 34.4 m-20 -145.5 51.84 1.19 Allowed 'General case' 0 C--N 1.375 1.69 0 CA-C-O 124.415 2.055 . . . . 1.0 106.246 -163.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.98 36.77 56.94 Favored Glycine 0 C--N 1.388 3.471 0 C-N-CA 118.347 -1.882 . . . . 1.0 112.677 163.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 96.62 -19.99 0.05 Allowed 'General case' 0 C--N 1.381 1.951 0 C-N-CA 126.22 1.808 . . . . 1.0 111.635 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -79.22 155.69 28.49 Favored 'General case' 0 C--N 1.38 1.917 0 N-CA-C 107.357 -1.349 . . . . 1.0 107.357 156.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.433 ' CE1' HD12 ' A' ' 65' ' ' ILE . 7.5 m-85 -131.86 135.15 46.47 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 104.677 -2.342 . . . . 1.0 104.677 173.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.0 m -113.71 103.82 11.61 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 105.532 -2.025 . . . . 1.0 105.532 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -100.57 157.89 16.33 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-O 124.271 1.986 . . . . 1.0 108.901 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -157.23 149.4 22.76 Favored 'General case' 0 C--N 1.374 1.633 0 O-C-N 120.26 -1.525 . . . . 1.0 111.427 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -120.78 128.46 52.91 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 104.674 -2.343 . . . . 1.0 104.674 166.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.75 129.56 34.82 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-O 122.442 1.115 . . . . 1.0 108.785 168.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -95.4 126.46 45.82 Favored Pre-proline 0 C--N 1.375 1.682 0 N-CA-C 105.729 -1.952 . . . . 1.0 105.729 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -71.73 62.11 3.01 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.027 1.818 . . . . 1.0 114.514 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.12 34.17 0.09 OUTLIER Glycine 0 C--N 1.379 2.955 0 CA-C-O 123.371 1.539 . . . . 1.0 111.006 -168.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.89 23.73 40.73 Favored Glycine 0 C--N 1.385 3.293 0 C-N-CA 119.72 -1.229 . . . . 1.0 114.488 162.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -159.95 162.99 34.53 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 123.728 1.728 . . . . 1.0 110.566 166.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 p -109.68 159.64 16.97 Favored 'General case' 0 C--N 1.371 1.513 0 CA-C-N 113.598 -1.637 . . . . 1.0 108.076 160.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.85 99.56 8.66 Favored 'Isoleucine or valine' 0 C--N 1.373 1.629 0 N-CA-C 101.891 -3.374 . . . . 1.0 101.891 158.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.8 m -105.01 148.69 26.47 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-N 114.297 -1.32 . . . . 1.0 107.641 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.84 142.79 15.34 Favored 'General case' 0 C--N 1.374 1.645 0 N-CA-C 108.769 -0.826 . . . . 1.0 108.769 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.9 m -112.04 144.05 42.03 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.678 -2.341 . . . . 1.0 104.678 162.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -146.97 155.26 42.12 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-O 122.786 1.279 . . . . 1.0 109.121 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -115.3 120.76 40.72 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-O 122.871 1.319 . . . . 1.0 107.668 -176.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.433 HD12 ' CE1' ' A' ' 47' ' ' PHE . 3.0 mt -75.28 139.14 19.56 Favored 'Isoleucine or valine' 0 C--N 1.375 1.701 0 CA-C-O 122.966 1.365 . . . . 1.0 110.117 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.02 19.59 42.37 Favored Glycine 0 C--N 1.381 3.048 0 CA-C-N 113.998 -1.455 . . . . 1.0 115.666 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.483 ' NZ ' ' OE2' ' A' ' 68' ' ' GLU . 8.2 ptmm? -152.94 -174.97 5.12 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 122.379 1.085 . . . . 1.0 109.263 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -84.27 154.83 22.74 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 123.359 1.552 . . . . 1.0 109.498 161.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.8 m -130.59 157.6 42.27 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 106.329 -1.73 . . . . 1.0 106.329 171.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.58 149.48 24.91 Favored 'General case' 0 C--N 1.372 1.582 0 N-CA-C 106.022 -1.844 . . . . 1.0 106.022 171.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.4 mm -142.15 144.79 24.69 Favored 'Isoleucine or valine' 0 C--N 1.375 1.678 0 N-CA-C 107.151 -1.426 . . . . 1.0 107.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.94 64.18 0.58 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-O 125.317 2.484 . . . . 1.0 111.593 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.9 p -137.5 169.78 17.2 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-N 113.022 -1.899 . . . . 1.0 110.123 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm 65.87 57.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 CA-C-O 123.859 1.79 . . . . 1.0 108.272 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.25 -25.99 1.4 Allowed Glycine 0 C--N 1.38 3.019 0 CA-C-N 114.063 -1.426 . . . . 1.0 113.254 166.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.74 45.55 6.73 Favored Glycine 0 C--N 1.383 3.165 0 CA-C-O 123.267 1.481 . . . . 1.0 110.078 -165.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -134.99 158.72 43.61 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 107.265 -1.383 . . . . 1.0 107.265 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -94.84 151.9 18.85 Favored 'General case' 0 C--N 1.369 1.415 0 CA-C-N 114.39 -1.277 . . . . 1.0 108.052 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.64 156.14 38.67 Favored 'General case' 0 C--N 1.372 1.552 0 CA-C-O 123.32 1.534 . . . . 1.0 107.231 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -108.22 158.83 17.11 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 106.727 -1.582 . . . . 1.0 106.727 162.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.77 137.3 21.21 Favored 'General case' 0 C--N 1.371 1.528 0 CA-C-N 115.18 -0.918 . . . . 1.0 109.402 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.69 148.96 22.99 Favored 'General case' 0 C--N 1.378 1.833 0 N-CA-C 107.469 -1.308 . . . . 1.0 107.469 167.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.5 p -155.45 137.65 6.34 Favored 'Isoleucine or valine' 0 C--N 1.374 1.648 0 CA-C-O 123.531 1.634 . . . . 1.0 110.232 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -158.05 158.96 35.77 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 123.212 1.482 . . . . 1.0 111.276 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 ttt -95.9 157.76 15.75 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.426 -1.715 . . . . 1.0 107.982 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.339 0.9 OUTLIER -147.42 -149.9 0.31 Allowed 'General case' 0 C--N 1.368 1.388 0 CA-C-N 113.558 -1.656 . . . . 1.0 106.822 172.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.61 70.24 1.14 Allowed Glycine 0 C--N 1.363 2.082 0 N-CA-C 117.08 1.592 . . . . 1.0 117.08 -161.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.35 23.43 43.94 Favored Glycine 0 C--N 1.382 3.102 0 CA-C-O 122.759 1.199 . . . . 1.0 112.852 -175.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.26 147.35 26.26 Favored 'General case' 0 C--N 1.378 1.823 0 N-CA-C 107.25 -1.389 . . . . 1.0 107.25 -159.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.5 t -113.05 138.85 41.03 Favored 'Isoleucine or valine' 0 C--N 1.369 1.455 0 N-CA-C 106.485 -1.672 . . . . 1.0 106.485 172.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.5 m -117.62 136.79 53.65 Favored 'Isoleucine or valine' 0 C--N 1.379 1.863 0 N-CA-C 107.909 -1.145 . . . . 1.0 107.909 167.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 t -112.31 148.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 N-CA-C 104.138 -2.541 . . . . 1.0 104.138 165.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.01 148.3 32.57 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 105.21 -2.144 . . . . 1.0 105.21 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.4 p -165.4 175.36 2.48 Favored Pre-proline 0 C--N 1.366 1.286 0 N-CA-C 107.596 -1.261 . . . . 1.0 107.596 -174.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -71.37 40.86 0.4 Allowed 'Trans proline' 0 C--N 1.379 2.161 0 N-CA-C 117.838 2.207 . . . . 1.0 117.838 -175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . 0.268 49.3 p30 161.18 -20.25 0.0 OUTLIER 'General case' 0 C--N 1.379 1.883 0 C-N-CA 125.115 1.366 . . . . 1.0 110.821 158.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -103.09 94.46 5.55 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 106.523 -1.658 . . . . 1.0 106.523 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -85.58 146.8 26.72 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.273 -1.751 . . . . 1.0 106.273 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -141.78 159.19 42.72 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 123.678 1.704 . . . . 1.0 107.498 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.8 138.59 13.1 Favored 'General case' 0 C--N 1.362 1.126 0 N-CA-C 103.476 -2.787 . . . . 1.0 103.476 -172.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.64 142.52 29.12 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 108.17 -1.048 . . . . 1.0 108.17 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.28 139.19 10.56 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-O 122.934 1.349 . . . . 1.0 110.558 -161.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 mm -99.61 124.93 53.27 Favored 'Isoleucine or valine' 0 C--N 1.381 1.969 0 CA-C-N 113.88 -1.509 . . . . 1.0 108.308 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.71 133.87 42.26 Favored 'Isoleucine or valine' 0 C--N 1.374 1.644 0 N-CA-C 104.722 -2.325 . . . . 1.0 104.722 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.546 ' OD1' ' NZ ' ' A' ' 124' ' ' LYS 0.321 1.1 p30 58.98 17.36 5.33 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 124.56 2.124 . . . . 1.0 116.473 172.012 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.28 -2.67 56.25 Favored Glycine 0 C--N 1.385 3.256 0 O-C-N 120.516 -1.365 . . . . 1.0 114.598 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 154.41 41.77 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 106.69 -1.596 . . . . 1.0 106.69 159.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -123.97 96.68 5.04 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 102.45 -3.167 . . . . 1.0 102.45 169.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 93.4 t -80.32 141.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.375 1.676 0 N-CA-C 105.487 -2.042 . . . . 1.0 105.487 173.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -119.73 154.15 34.58 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 122.752 1.263 . . . . 1.0 108.563 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.0 107.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.778 0 N-CA-C 105.964 -1.865 . . . . 1.0 105.964 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.69 162.76 17.74 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 124.118 1.914 . . . . 1.0 111.578 158.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 144.68 38.39 Favored 'General case' 0 C--N 1.375 1.704 0 CA-C-N 112.605 -2.089 . . . . 1.0 105.445 166.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.57 48.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 125.795 2.712 . . . . 1.0 107.921 -171.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.72 -94.04 1.41 Allowed Glycine 0 C--N 1.378 2.891 0 CA-C-N 111.928 -2.396 . . . . 1.0 108.434 -175.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.61 12.49 66.14 Favored Glycine 0 C--N 1.377 2.845 0 N-CA-C 116.414 1.325 . . . . 1.0 116.414 -170.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.97 145.25 24.3 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 N-CA-C 107.375 -1.342 . . . . 1.0 107.375 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 163.45 13.69 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-O 122.614 1.197 . . . . 1.0 108.867 165.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -143.04 86.21 1.91 Allowed 'General case' 0 C--N 1.369 1.433 0 N-CA-C 106.518 -1.66 . . . . 1.0 106.518 162.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 12' ' ' LYS . 19.4 pm0 -79.27 146.79 32.81 Favored 'General case' 0 C--N 1.367 1.367 0 CA-C-N 112.124 -2.307 . . . . 1.0 109.93 168.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.73 134.35 10.83 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 112.819 -1.992 . . . . 1.0 106.115 -171.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.66 117.6 54.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.447 0 N-CA-C 106.613 -1.625 . . . . 1.0 106.613 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.41 160.61 22.73 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 122.515 1.15 . . . . 1.0 109.113 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.546 ' NZ ' ' OD1' ' A' ' 105' ' ' ASP . 16.9 tppt? -146.86 142.78 28.02 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-O 123.49 1.614 . . . . 1.0 109.205 -170.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -82.77 80.61 8.81 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 123.557 1.646 . . . . 1.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.7 mt -83.47 44.62 0.98 Allowed 'General case' 0 C--N 1.371 1.501 0 CA-C-O 125.819 2.724 . . . . 1.0 110.9 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.375 1.711 0 CA-C-N 112.776 -2.011 . . . . 1.0 111.257 169.214 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_