data_6k4v_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6k4v _Structure_validation_residue.Date_analyzed 2019-06-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.247 0.546 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.51 53.03 3.76 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.49 -42.93 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.028 0.442 . . . . 0.0 110.742 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -80.8 -7.9 59.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.716 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.4 -55.03 4.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.465 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t 66.48 103.02 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.664 0.602 . . . . 0.0 111.33 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.47 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 0.0 110.752 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -8.78 41.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.989 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -97.71 -9.26 27.01 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.665 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -83.57 -61.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.942 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 59.49 91.74 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 O-C-N 123.758 0.662 . . . . 0.0 110.661 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.58 -3.97 43.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.311 0.577 . . . . 0.0 110.683 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.777 179.312 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HB ' ' CD2' ' A' ' 36' ' ' HIS . 41.4 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 71.1 m -90.7 109.34 20.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.325 0.583 . . . . 0.0 111.058 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.25 166.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.309 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -115.44 111.65 21.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.178 0.513 . . . . 0.0 110.65 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -101.52 89.62 3.79 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.625 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.98 44.04 8.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.74 -8.4 76.64 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.824 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.82 117.15 44.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.968 0.413 . . . . 0.0 110.645 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.72 113.22 9.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.209 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -116.4 110.11 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.906 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 38.4 m -98.18 104.53 16.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 0.0 110.092 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 3.8 p-80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.88 140.52 11.43 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -63.76 -56.61 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 169.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.481 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 6.5 t90 171.92 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.708 173.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -74.27 -70.75 0.37 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.143 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.554 HG11 ' H ' ' A' ' 10' ' ' ALA . 19.8 t -135.33 143.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -66.43 -15.64 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.253 0.549 . . . . 0.0 110.248 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.554 ' H ' HG11 ' A' ' 8' ' ' VAL . . . -116.62 28.85 8.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.158 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -64.93 -13.69 57.77 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.816 0.341 . . . . 0.0 111.518 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -89.2 -7.53 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.144 0.497 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.85 49.62 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.555 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -77.36 -3.33 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.62 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.914 179.78 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 73.2 m -91.85 111.59 23.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.0 158.14 8.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.751 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.16 110.4 21.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.234 0.54 . . . . 0.0 110.444 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -110.18 105.95 15.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.966 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 63.41 37.97 10.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.421 0.629 . . . . 0.0 110.366 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.63 86.08 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.661 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.59 130.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -82.48 113.57 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.907 0.384 . . . . 0.0 110.636 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 t -114.87 109.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.124 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.4 m -100.45 100.46 11.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 110.371 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -179.477 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.134 0.492 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.6 16.53 28.83 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.879 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -25.49 68.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.084 0.442 . . . . 0.0 111.0 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -98.12 -11.41 22.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.334 0.588 . . . . 0.0 110.652 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.57 -40.0 18.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.554 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p 43.15 49.4 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.998 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 97.8 mtt180 -103.35 -14.28 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.969 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 11.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.877 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 9' ' ' ARG . 6.6 p -87.73 3.57 47.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.712 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HD2' ' O ' ' A' ' 9' ' ' ARG . 50.3 p90 -70.32 -19.94 63.04 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -114.01 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.495 0.664 . . . . 0.0 109.886 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -77.72 -9.57 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.724 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.613 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.166 178.28 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.023 0.439 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -114.88 122.15 45.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.899 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 m -111.84 152.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.948 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.83 95.93 6.51 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.082 0.468 . . . . 0.0 110.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -92.17 96.68 10.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.225 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 54.8 53.55 10.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.18 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.32 89.11 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.252 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.5 t -115.32 120.09 63.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -78.67 111.89 15.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.189 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.73 112.97 42.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.1 m -103.57 124.98 49.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.165 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.293 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.63 80.62 0.1 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.654 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -5.24 59.09 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.616 -0.343 . . . . 0.0 111.538 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -131.46 148.99 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -110.2 -54.6 2.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.138 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.54 160.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.969 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -95.58 15.16 20.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.61 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.42 27.4 8.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -80.95 8.35 8.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.498 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.378 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -144.3 157.35 44.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.237 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -101.56 -12.32 18.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.368 0.604 . . . . 0.0 110.197 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.418 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.572 -179.864 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 C--O 1.235 0.294 0 CA-C-O 121.032 0.444 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 58.2 m -98.27 111.79 24.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.853 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.93 153.5 18.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.785 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -91.75 108.62 20.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.782 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -108.11 109.45 20.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.569 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 63.86 35.4 11.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.563 0.696 . . . . 0.0 109.732 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.38 89.91 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.82 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -107.13 127.37 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.75 -0.265 . . . . 0.0 110.373 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -72.15 104.15 3.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.292 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -106.38 110.03 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.247 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 56.6 m -90.0 103.31 15.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.155 178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 121.554 0.692 . . . . 0.0 110.014 178.175 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 121.759 0.79 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.76 175.0 45.47 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.698 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -71.59 -14.58 62.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 111.294 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -110.99 129.04 56.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.097 0.475 . . . . 0.0 111.052 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -111.37 -10.35 14.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.767 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.98 124.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.594 0.711 . . . . 0.0 111.864 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -71.32 -16.9 62.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.375 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -9.8 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -71.88 -20.46 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -99.25 18.43 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.703 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -132.32 110.61 10.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.359 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -109.93 6.2 23.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.232 0.539 . . . . 0.0 109.919 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.734 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.603 -179.371 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.647 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -102.81 131.49 49.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.15 -176.503 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.27 148.95 27.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.843 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.39 102.9 10.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.127 0.489 . . . . 0.0 110.929 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -101.14 107.3 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.99 35.73 24.18 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.447 0.467 . . . . 0.0 111.05 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.0 -7.89 80.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.918 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.68 120.5 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 122.69 -0.3 . . . . 0.0 110.35 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.647 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 57.1 ttp180 -72.08 99.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.4 t -101.06 112.2 33.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.819 -176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 94.5 m -90.18 124.59 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.165 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.2 m80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.321 0.581 . . . . 0.0 111.48 -178.23 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.947 0.404 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.47 43.97 4.13 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.527 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -19.55 64.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -175.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -100.26 -12.36 19.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.288 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -94.1 -73.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.71 52.84 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -120.23 -17.42 8.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.931 -0.481 . . . . 0.0 110.909 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.81 16.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.245 0.545 . . . . 0.0 110.67 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 m -74.93 -32.33 61.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.368 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -86.27 -1.51 57.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 110.835 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -86.14 34.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.598 0.713 . . . . 0.0 109.772 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -110.66 6.29 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.082 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.269 -178.524 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.522 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 59.5 t . . . . . 0 C--O 1.235 0.322 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 99.0 m -91.79 121.5 33.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.66 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -125.94 147.47 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.415 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.99 95.23 9.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.18 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -94.12 112.28 24.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.431 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 61.82 29.15 17.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.21 -10.06 73.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.882 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -100.94 131.76 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.864 0.364 . . . . 0.0 110.749 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -69.92 99.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.9 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.33 119.38 59.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -105.35 123.34 47.71 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.313 -177.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.522 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 10.7 p-80 . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.556 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.987 0.422 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.93 78.54 1.34 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.878 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 7.8 ppt_? -68.82 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.458 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 6.7 p-90 -85.51 -11.92 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.127 0.489 . . . . 0.0 110.165 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -81.92 -10.46 59.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -75.53 64.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.729 0.776 . . . . 0.0 110.232 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -120.92 -5.5 9.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.308 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.14 11.56 20.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -68.43 -17.19 64.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.9 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -85.16 1.37 48.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.839 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.7 69.45 0.83 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.148 0.499 . . . . 0.0 110.135 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -83.53 -14.79 51.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.66 0.743 . . . . 0.0 109.752 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.756 178.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 56.0 m -98.16 116.98 31.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.905 -175.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.03 153.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 101.41 13.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.327 0.584 . . . . 0.0 110.753 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -112.81 114.6 27.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.009 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 61.86 35.12 16.66 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.672 0.607 . . . . 0.0 110.749 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.42 13.67 79.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.697 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.13 128.86 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -71.86 107.1 4.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.78 105.49 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.14 0.495 . . . . 0.0 110.124 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.0 m -91.4 106.09 18.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.172 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.803 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.63 110.76 3.17 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.401 -175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -47.32 73.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.832 0.348 . . . . 0.0 110.599 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -93.24 102.33 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.224 1.011 . . . . 0.0 111.217 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -111.27 -62.03 1.61 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.6 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 m -79.87 48.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.538 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -66.47 -36.46 82.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.729 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.75 9.02 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.192 0.52 . . . . 0.0 110.968 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 m -109.57 1.5 19.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.635 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -110.27 -70.18 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.02 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 56.5 45.02 23.24 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.605 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -105.54 7.15 32.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.339 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.508 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 51.6 t . . . . . 0 C--O 1.235 0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 63.8 m -105.25 118.01 35.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.464 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.55 159.85 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.921 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -106.77 88.93 2.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.864 0.364 . . . . 0.0 110.657 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -84.89 111.47 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.737 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.95 36.72 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.901 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.31 6.48 87.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.016 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.3 t -109.13 124.12 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.826 0.313 . . . . 0.0 110.329 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -72.92 117.49 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 14.7 p -123.26 137.15 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.881 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.8 m -117.55 112.29 20.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.929 0.395 . . . . 0.0 111.507 -175.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.508 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 21.2 p-80 . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.669 0.271 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.89 42.66 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.21 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -80.82 -16.86 52.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.363 0.601 . . . . 0.0 109.894 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.414 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 11.1 m95 -88.81 23.0 2.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.003 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -68.71 -19.88 64.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.216 0.532 . . . . 0.0 109.967 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.05 114.41 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.023 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -72.61 -13.57 61.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.409 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 0.62 8.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.368 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 p -71.82 -12.45 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.085 0.469 . . . . 0.0 110.744 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.38 -28.71 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.816 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -73.32 152.17 41.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.323 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.25 6.5 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.898 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.596 179.081 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 121.043 0.449 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.7 m -120.03 114.12 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.405 -176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.51 142.89 23.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 17.0 m-85 -90.72 100.88 13.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.917 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.45 113.13 25.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.375 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 62.1 32.46 17.48 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.514 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.83 5.87 89.46 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.724 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 84.1 t -102.21 122.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -76.9 97.61 4.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.361 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -101.72 106.19 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 0.0 110.625 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.24 103.64 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.673 -177.442 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.37 92.14 1.38 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.739 -0.744 . . . . 0.0 111.447 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.47 -44.6 92.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 110.172 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.7 p90 -89.32 144.44 26.08 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.79 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -104.56 -21.71 13.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.495 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG13 ' H ' ' A' ' 10' ' ' ALA . 83.2 t -89.08 118.13 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.574 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.78 -14.07 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.575 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' H ' HG13 ' A' ' 8' ' ' VAL . . . -65.96 -10.83 42.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 110.897 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 m -81.0 -21.85 39.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 109.718 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -88.32 -44.55 10.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.533 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -76.79 93.77 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.288 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -110.3 -2.01 16.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.501 0.667 . . . . 0.0 109.777 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.385 179.821 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.555 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 95.5 t . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.718 0.294 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.5 m -108.84 124.91 51.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.989 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 m -128.93 142.95 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.445 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -89.7 108.97 20.0 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.252 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.503 ' O ' HG11 ' A' ' 32' ' ' VAL . 96.5 mtt180 -127.48 127.51 44.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.507 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 63.8 23.84 13.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.276 0.56 . . . . 0.0 110.481 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.21 8.95 84.67 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.295 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.503 HG11 ' O ' ' A' ' 29' ' ' ARG . 9.8 p -122.81 145.3 29.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.112 0.456 . . . . 0.0 110.684 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -77.89 101.2 6.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 t -94.3 122.58 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 67.4 m -122.39 110.15 15.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.755 0.312 . . . . 0.0 110.653 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.555 ' CE1' ' HB ' ' A' ' 25' ' ' VAL . 41.0 p-80 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 0.0 109.951 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.4 t -81.01 121.08 33.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -69.71 -30.98 68.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.247 0.546 . . . . 0.0 110.089 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.51 53.03 3.76 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.49 -42.93 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.028 0.442 . . . . 0.0 110.742 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -80.8 -7.9 59.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.716 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.4 -55.03 4.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.465 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t 66.48 103.02 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.664 0.602 . . . . 0.0 111.33 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.47 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 0.0 110.752 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -8.78 41.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.989 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -97.71 -9.26 27.01 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.665 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -83.57 -61.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.942 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 59.49 91.74 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 O-C-N 123.758 0.662 . . . . 0.0 110.661 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.58 -3.97 43.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.311 0.577 . . . . 0.0 110.683 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.49 173.06 12.89 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.777 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.37 -40.14 6.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.737 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.94 -153.15 17.53 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.15 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 -35.4 42.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.056 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -79.08 139.45 38.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.844 0.354 . . . . 0.0 110.576 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.38 67.29 0.46 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.76 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -108.27 159.36 16.69 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.0 60.27 2.5 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.756 0.66 . . . . 0.0 111.744 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -69.1 -48.23 63.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -110.35 137.19 48.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.794 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HB ' ' CD2' ' A' ' 36' ' ' HIS . 41.4 t -114.1 110.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 71.1 m -90.7 109.34 20.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.325 0.583 . . . . 0.0 111.058 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.25 166.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.309 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -115.44 111.65 21.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.178 0.513 . . . . 0.0 110.65 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -101.52 89.62 3.79 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.625 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.98 44.04 8.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.74 -8.4 76.64 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.824 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.82 117.15 44.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.968 0.413 . . . . 0.0 110.645 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.72 113.22 9.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.209 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -116.4 110.11 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.906 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 38.4 m -98.18 104.53 16.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 0.0 110.092 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 3.8 p-80 -96.17 132.04 42.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.2 mtm105 -108.15 104.74 14.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.638 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -96.22 112.3 24.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 110.454 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -142.96 146.66 34.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.408 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.884 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.06 -37.49 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.878 0.371 . . . . 0.0 110.794 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -134.9 136.61 42.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.834 0.35 . . . . 0.0 110.362 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.88 140.52 11.43 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -63.76 -56.61 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 169.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.481 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 6.5 t90 171.92 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.708 173.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -74.27 -70.75 0.37 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.143 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.554 HG11 ' H ' ' A' ' 10' ' ' ALA . 19.8 t -135.33 143.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -66.43 -15.64 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.253 0.549 . . . . 0.0 110.248 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' H ' HG11 ' A' ' 8' ' ' VAL . . . -116.62 28.85 8.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.158 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -64.93 -13.69 57.77 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.816 0.341 . . . . 0.0 111.518 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -89.2 -7.53 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.144 0.497 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.85 49.62 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.555 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -77.36 -3.33 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.62 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.87 135.13 12.42 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.914 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.25 29.51 5.93 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.153 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.41 88.19 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.051 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.2 -57.95 0.77 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.728 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -88.39 161.19 17.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.09 70.6 1.2 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -69.08 108.98 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.93 0.395 . . . . 0.0 109.936 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.94 14.98 9.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.307 0.575 . . . . 0.0 110.586 -177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -81.42 -17.84 47.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.6 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -61.94 144.64 54.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.902 177.58 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t -103.38 113.07 39.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 73.2 m -91.85 111.59 23.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.0 158.14 8.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.751 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.16 110.4 21.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.234 0.54 . . . . 0.0 110.444 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -110.18 105.95 15.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.966 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 63.41 37.97 10.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.421 0.629 . . . . 0.0 110.366 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.63 86.08 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.661 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.59 130.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -82.48 113.57 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.907 0.384 . . . . 0.0 110.636 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 t -114.87 109.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.124 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.4 m -100.45 100.46 11.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 110.371 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -91.0 127.29 36.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' HG2' ' HB3' ' A' ' 24' ' ' ASN . 59.4 mtm180 -87.51 98.86 11.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.493 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -76.55 130.05 37.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.025 0.441 . . . . 0.0 111.525 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.49 6.91 4.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.816 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.5 t30 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.771 179.472 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.76 0.315 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 t -95.85 39.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.692 0.758 . . . . 0.0 110.146 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -125.42 84.69 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.6 16.53 28.83 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.879 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -25.49 68.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.084 0.442 . . . . 0.0 111.0 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -98.12 -11.41 22.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.334 0.588 . . . . 0.0 110.652 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.57 -40.0 18.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.554 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p 43.15 49.4 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.998 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 97.8 mtt180 -103.35 -14.28 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.969 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 11.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.877 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 9' ' ' ARG . 6.6 p -87.73 3.57 47.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.712 179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HD2' ' O ' ' A' ' 9' ' ' ARG . 50.3 p90 -70.32 -19.94 63.04 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -114.01 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.495 0.664 . . . . 0.0 109.886 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -77.72 -9.57 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.724 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.13 -9.8 86.59 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.166 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.28 -29.62 70.08 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.261 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.7 -72.3 1.12 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.77 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.23 -48.6 4.08 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.833 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 p -85.16 109.9 18.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.161 0.505 . . . . 0.0 111.225 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.0 89.37 1.61 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -55.03 139.91 39.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.055 0.455 . . . . 0.0 111.771 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.67 87.85 6.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.575 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -79.16 -21.64 46.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -74.51 101.52 4.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.583 0.706 . . . . 0.0 110.798 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -94.4 134.01 33.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.517 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -114.88 122.15 45.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.899 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 m -111.84 152.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.948 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.83 95.93 6.51 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.082 0.468 . . . . 0.0 110.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -92.17 96.68 10.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.225 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 54.8 53.55 10.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.18 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.32 89.11 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.252 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.5 t -115.32 120.09 63.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -78.67 111.89 15.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.189 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.73 112.97 42.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.1 m -103.57 124.98 49.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.165 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -119.86 154.7 33.95 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -127.77 100.76 6.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.66 0.267 . . . . 0.0 110.898 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -74.9 118.93 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 176.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.59 148.04 31.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.076 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.389 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.5 -64.69 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -122.43 -68.87 0.86 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.63 80.62 0.1 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.654 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -5.24 59.09 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.616 -0.343 . . . . 0.0 111.538 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -131.46 148.99 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -110.2 -54.6 2.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.138 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.54 160.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.969 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' NH2' ' HA ' ' A' ' 40' ' ' ASN . 37.0 mtm180 -95.58 15.16 20.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.61 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.42 27.4 8.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -80.95 8.35 8.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.498 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.378 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -144.3 157.35 44.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.237 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -101.56 -12.32 18.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.368 0.604 . . . . 0.0 110.197 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.0 -18.78 1.22 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.572 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.22 31.19 7.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.192 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.83 -0.96 90.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.592 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.86 31.56 43.56 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.705 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -65.83 116.11 6.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.752 0.31 . . . . 0.0 110.731 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.22 -33.8 69.2 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.429 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -99.88 125.56 45.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.4 85.43 6.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -92.13 -6.54 50.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.989 0.423 . . . . 0.0 110.754 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.503 ' OD1' ' HB3' ' A' ' 37' ' ' ARG . 36.4 m-80 -73.39 115.16 12.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.151 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t -97.06 106.56 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.032 0.444 . . . . 0.0 110.435 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 58.2 m -98.27 111.79 24.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.853 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.93 153.5 18.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.785 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -91.75 108.62 20.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.782 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -108.11 109.45 20.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.569 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 63.86 35.4 11.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.563 0.696 . . . . 0.0 109.732 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.38 89.91 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.82 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -107.13 127.37 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.75 -0.265 . . . . 0.0 110.373 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -72.15 104.15 3.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.292 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -106.38 110.03 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.247 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 56.6 m -90.0 103.31 15.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.155 178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -88.92 109.47 20.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.554 0.692 . . . . 0.0 110.014 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . 3.1 ptp180 -99.32 105.94 17.99 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.973 177.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 38' ' ' ARG . 3.8 tmt_? -76.59 113.08 13.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.949 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.56 3.22 3.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.274 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.413 ' HA ' ' NH2' ' A' ' 9' ' ' ARG . 23.7 t-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.512 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.961 0.41 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.0 p -80.43 100.28 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.6 0.714 . . . . 0.0 110.42 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -117.15 75.98 1.01 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.759 0.79 . . . . 0.0 110.636 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.76 175.0 45.47 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.698 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -71.59 -14.58 62.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 111.294 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -110.99 129.04 56.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.097 0.475 . . . . 0.0 111.052 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -111.37 -10.35 14.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.767 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.98 124.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.594 0.711 . . . . 0.0 111.864 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -71.32 -16.9 62.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.375 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -9.8 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -71.88 -20.46 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -99.25 18.43 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.703 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -132.32 110.61 10.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.359 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -109.93 6.2 23.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.232 0.539 . . . . 0.0 109.919 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.14 -124.18 8.06 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.603 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.46 -35.99 6.36 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.91 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.78 -32.33 1.09 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.789 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.94 46.37 0.56 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.038 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 m -94.76 108.77 20.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.889 0.376 . . . . 0.0 110.669 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.01 26.57 1.28 Allowed Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.463 ' HB2' ' NE1' ' A' ' 23' ' ' TRP . 87.3 m-85 -70.68 152.41 43.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.903 0.382 . . . . 0.0 110.432 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.5 74.34 6.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.219 -176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.463 ' NE1' ' HB2' ' A' ' 21' ' ' PHE . 72.3 m95 -77.3 -24.86 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.433 0.635 . . . . 0.0 109.69 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -108.04 104.2 13.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.745 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.4 t -88.59 99.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.647 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -102.81 131.49 49.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.15 -176.503 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.27 148.95 27.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.843 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.39 102.9 10.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.127 0.489 . . . . 0.0 110.929 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -101.14 107.3 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.99 35.73 24.18 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.447 0.467 . . . . 0.0 111.05 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.0 -7.89 80.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.918 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.68 120.5 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 122.69 -0.3 . . . . 0.0 110.35 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.647 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 57.1 ttp180 -72.08 99.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.4 t -101.06 112.2 33.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.819 -176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 94.5 m -90.18 124.59 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.165 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -78.56 120.42 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.321 0.581 . . . . 0.0 111.48 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -114.51 111.27 21.12 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.304 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -69.47 113.98 7.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.626 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.54 65.63 8.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.203 0.525 . . . . 0.0 110.485 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.535 -0.745 . . . . 0.0 110.192 -177.587 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.586 0.231 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.7 t -77.87 114.04 17.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.394 . . . . 0.0 110.114 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -89.08 100.01 12.88 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.412 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.47 43.97 4.13 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.527 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -19.55 64.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -175.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -100.26 -12.36 19.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.288 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -94.1 -73.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.71 52.84 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -120.23 -17.42 8.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.931 -0.481 . . . . 0.0 110.909 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.81 16.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.245 0.545 . . . . 0.0 110.67 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 m -74.93 -32.33 61.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.368 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -86.27 -1.51 57.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 110.835 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -86.14 34.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.598 0.713 . . . . 0.0 109.772 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -110.66 6.29 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.082 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.66 -118.83 0.55 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.269 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.6 -36.44 62.31 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.987 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.4 -153.19 22.33 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.944 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.26 110.59 3.07 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.871 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.1 t -59.92 116.05 3.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.842 0.353 . . . . 0.0 110.256 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.25 71.22 2.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.014 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -76.87 143.24 39.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.64 87.54 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.998 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -85.41 18.75 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.455 . . . . 0.0 110.934 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -96.94 138.76 33.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.078 0.466 . . . . 0.0 110.829 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.522 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 59.5 t -123.12 116.87 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.681 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 99.0 m -91.79 121.5 33.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.66 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -125.94 147.47 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.415 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.99 95.23 9.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.18 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -94.12 112.28 24.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.431 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 61.82 29.15 17.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.21 -10.06 73.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.882 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -100.94 131.76 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.864 0.364 . . . . 0.0 110.749 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -69.92 99.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.9 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.33 119.38 59.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -105.35 123.34 47.71 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.313 -177.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 10.7 p-80 -96.39 114.05 25.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.556 176.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -96.36 107.68 20.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.216 -174.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -73.5 109.28 6.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.981 0.419 . . . . 0.0 110.787 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.27 17.87 21.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.44 0.638 . . . . 0.0 110.076 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.133 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.423 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 21.0 tpp180 . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.905 0.383 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 m -93.23 66.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.234 0.54 . . . . 0.0 112.099 -175.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.423 ' HG2' ' HG3' ' A' ' 1' ' ' ARG . 15.8 mm100 -82.49 74.63 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.164 176.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.93 78.54 1.34 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.878 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 7.8 ppt_? -68.82 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.458 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 6.7 p-90 -85.51 -11.92 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.127 0.489 . . . . 0.0 110.165 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -81.92 -10.46 59.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -75.53 64.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.729 0.776 . . . . 0.0 110.232 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -120.92 -5.5 9.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.308 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.14 11.56 20.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -68.43 -17.19 64.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.9 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -85.16 1.37 48.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.839 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.7 69.45 0.83 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.148 0.499 . . . . 0.0 110.135 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -83.53 -14.79 51.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.66 0.743 . . . . 0.0 109.752 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.4 116.37 0.61 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.756 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.04 8.38 21.24 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.293 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.83 41.96 71.58 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.929 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.29 -123.37 7.59 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.485 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -73.35 109.12 6.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.04 0.448 . . . . 0.0 110.466 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.41 -28.17 13.58 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.803 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.26 107.56 17.36 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.17 61.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.508 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -135.11 77.6 1.69 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.901 0.858 . . . . 0.0 111.446 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 4.1 p-10 -74.4 108.29 7.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.728 173.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 t -88.69 99.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 56.0 m -98.16 116.98 31.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.905 -175.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.03 153.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 101.41 13.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.327 0.584 . . . . 0.0 110.753 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -112.81 114.6 27.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.009 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 61.86 35.12 16.66 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.672 0.607 . . . . 0.0 110.749 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.42 13.67 79.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.697 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.13 128.86 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -71.86 107.1 4.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.78 105.49 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.14 0.495 . . . . 0.0 110.124 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.0 m -91.4 106.09 18.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.172 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -100.48 140.08 35.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 24' ' ' ASN . 53.9 mtt180 -126.45 158.14 36.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.653 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -82.95 133.07 35.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.176 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.01 47.95 9.19 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.657 0.598 . . . . 0.0 110.795 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.5 t30 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.357 -177.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.509 ' HD3' ' H2 ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 t -100.86 78.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.026 0.441 . . . . 0.0 110.006 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -85.92 89.9 7.92 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.63 110.76 3.17 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.401 -175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -47.32 73.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.832 0.348 . . . . 0.0 110.599 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -93.24 102.33 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.224 1.011 . . . . 0.0 111.217 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -111.27 -62.03 1.61 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.6 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 m -79.87 48.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.538 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -66.47 -36.46 82.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.729 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.75 9.02 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.192 0.52 . . . . 0.0 110.968 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 m -109.57 1.5 19.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.635 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -110.27 -70.18 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.02 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 56.5 45.02 23.24 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.605 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -105.54 7.15 32.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.92 -107.61 2.37 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.27 5.18 44.95 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.961 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.3 -106.12 0.92 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.09 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.94 -74.43 2.17 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.693 -177.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -72.11 123.93 23.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.74 78.88 1.15 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.991 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -90.34 108.97 20.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 38' ' ' ARG . . . -148.96 179.43 7.87 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.853 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -95.81 63.72 2.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.866 0.841 . . . . 0.0 109.164 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -69.52 118.07 11.92 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.179 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.508 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 51.6 t -109.29 121.58 62.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.344 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 63.8 m -105.25 118.01 35.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.464 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.55 159.85 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.921 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -106.77 88.93 2.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.864 0.364 . . . . 0.0 110.657 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -84.89 111.47 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.737 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.95 36.72 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.901 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.31 6.48 87.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.016 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.3 t -109.13 124.12 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.826 0.313 . . . . 0.0 110.329 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -72.92 117.49 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 14.7 p -123.26 137.15 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.881 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.8 m -117.55 112.29 20.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.929 0.395 . . . . 0.0 111.507 -175.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.508 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 21.2 p-80 -95.33 127.99 41.81 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -92.18 107.31 19.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.925 0.393 . . . . 0.0 110.96 -174.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 19.2 tpp180 -85.74 106.87 17.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.3 -4.46 3.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.788 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 . . . . . 0 C--O 1.246 0.884 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.678 179.498 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.939 0.4 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 2' ' ' VAL . 7.7 p -146.13 79.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.312 1.053 . . . . 0.0 110.247 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -84.65 139.77 31.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.616 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.89 42.66 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.21 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -80.82 -16.86 52.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.363 0.601 . . . . 0.0 109.894 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.414 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 11.1 m95 -88.81 23.0 2.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.003 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -68.71 -19.88 64.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.216 0.532 . . . . 0.0 109.967 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.05 114.41 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.023 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -72.61 -13.57 61.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.409 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 0.62 8.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.368 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 p -71.82 -12.45 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.085 0.469 . . . . 0.0 110.744 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.38 -28.71 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.816 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -73.32 152.17 41.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.323 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.25 6.5 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 162.68 -172.26 38.7 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.596 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.82 30.23 6.73 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.62 -103.23 2.65 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.673 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.08 23.88 2.86 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.01 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 t -100.97 127.54 47.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.741 0.305 . . . . 0.0 110.894 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.95 71.95 2.93 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 175.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -74.34 122.57 23.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.507 -0.346 . . . . 0.0 111.572 -173.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 38' ' ' ARG . . . 62.75 41.21 9.25 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.997 175.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.443 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 5.2 m-90 60.33 90.6 0.06 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.15 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -89.0 97.88 11.45 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 m -113.22 150.37 15.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.078 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.7 m -120.03 114.12 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.405 -176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.51 142.89 23.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 17.0 m-85 -90.72 100.88 13.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.917 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.45 113.13 25.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.375 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 62.1 32.46 17.48 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.514 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.83 5.87 89.46 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.724 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 84.1 t -102.21 122.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -76.9 97.61 4.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.361 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -101.72 106.19 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 0.0 110.625 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.24 103.64 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -96.72 127.74 42.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.673 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -112.57 140.54 47.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.558 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 23' ' ' TRP . 55.7 mtt85 -100.26 109.38 21.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.03 65.99 9.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 0.0 110.173 177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m120 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.625 -0.702 . . . . 0.0 110.25 -178.07 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 2' ' ' VAL . 15.2 t 60.24 38.55 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 122.096 0.951 . . . . 0.0 109.616 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.25 96.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.683 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.37 92.14 1.38 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.739 -0.744 . . . . 0.0 111.447 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.47 -44.6 92.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 110.172 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.7 p90 -89.32 144.44 26.08 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.79 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -104.56 -21.71 13.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.495 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG13 ' H ' ' A' ' 10' ' ' ALA . 83.2 t -89.08 118.13 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.574 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.78 -14.07 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.575 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' H ' HG13 ' A' ' 8' ' ' VAL . . . -65.96 -10.83 42.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 110.897 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 m -81.0 -21.85 39.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 109.718 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -88.32 -44.55 10.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.533 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -76.79 93.77 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.288 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -110.3 -2.01 16.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.501 0.667 . . . . 0.0 109.777 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.19 -111.59 4.11 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.385 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.77 13.14 38.57 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.158 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.8 -103.52 3.04 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.606 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.02 -28.47 49.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.837 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -76.14 126.25 30.65 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.88 -3.62 67.6 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.959 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -106.64 143.18 35.11 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.45 74.31 0.42 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.488 0.493 . . . . 0.0 111.357 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -71.54 -38.1 71.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.971 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -103.29 115.93 31.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.304 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.555 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 95.5 t -102.36 127.55 55.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.764 -176.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.5 m -108.84 124.91 51.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.989 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 m -128.93 142.95 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.445 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -89.7 108.97 20.0 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.252 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.503 ' O ' HG11 ' A' ' 32' ' ' VAL . 96.5 mtt180 -127.48 127.51 44.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.507 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 63.8 23.84 13.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.276 0.56 . . . . 0.0 110.481 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.21 8.95 84.67 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.295 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.503 HG11 ' O ' ' A' ' 29' ' ' ARG . 9.8 p -122.81 145.3 29.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.112 0.456 . . . . 0.0 110.684 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -77.89 101.2 6.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 t -94.3 122.58 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 67.4 m -122.39 110.15 15.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.755 0.312 . . . . 0.0 110.653 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.555 ' CE1' ' HB ' ' A' ' 25' ' ' VAL . 41.0 p-80 -93.23 129.66 39.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 0.0 109.951 177.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -95.21 158.13 15.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.035 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -76.61 109.29 10.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.31 -2.67 22.03 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.599 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.2 t30 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.385 -0.817 . . . . 0.0 109.848 178.011 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.247 0.546 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.51 53.03 3.76 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.49 -42.93 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.028 0.442 . . . . 0.0 110.742 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -80.8 -7.9 59.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.716 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.4 -55.03 4.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.465 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t 66.48 103.02 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.664 0.602 . . . . 0.0 111.33 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.47 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 0.0 110.752 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -8.78 41.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.989 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -97.71 -9.26 27.01 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.665 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -83.57 -61.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.942 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 59.49 91.74 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 O-C-N 123.758 0.662 . . . . 0.0 110.661 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.58 -3.97 43.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.311 0.577 . . . . 0.0 110.683 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.777 179.312 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.42 ' HB ' ' CD2' ' A' ' 36' ' ' HIS . 41.4 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 71.1 m -90.7 109.34 20.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.325 0.583 . . . . 0.0 111.058 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.25 166.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.309 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -115.44 111.65 21.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.178 0.513 . . . . 0.0 110.65 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -101.52 89.62 3.79 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.625 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.98 44.04 8.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.74 -8.4 76.64 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.824 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.82 117.15 44.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.968 0.413 . . . . 0.0 110.645 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.72 113.22 9.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.209 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -116.4 110.11 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.906 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 38.4 m -98.18 104.53 16.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 0.0 110.092 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.42 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 3.8 p-80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.88 140.52 11.43 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -63.76 -56.61 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 169.813 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 6.5 t90 171.92 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.708 173.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -74.27 -70.75 0.37 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.143 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.645 HG12 ' H ' ' A' ' 10' ' ' ALA . 19.8 t -135.33 143.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -66.43 -15.64 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.253 0.549 . . . . 0.0 110.248 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.645 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -116.62 28.85 8.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.158 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -64.93 -13.69 57.77 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.816 0.341 . . . . 0.0 111.518 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -89.2 -7.53 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.144 0.497 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.85 49.62 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.555 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -77.36 -3.33 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.62 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.914 179.78 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 73.2 m -91.85 111.59 23.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.0 158.14 8.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.751 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.16 110.4 21.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.234 0.54 . . . . 0.0 110.444 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -110.18 105.95 15.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.966 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.9 t30 63.41 37.97 10.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.421 0.629 . . . . 0.0 110.366 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.63 86.08 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.661 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.59 130.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -82.48 113.57 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.907 0.384 . . . . 0.0 110.636 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 t -114.87 109.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.124 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.4 m -100.45 100.46 11.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 110.371 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -179.477 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.134 0.492 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.6 16.53 28.83 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.879 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -25.49 68.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.084 0.442 . . . . 0.0 111.0 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -98.12 -11.41 22.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.334 0.588 . . . . 0.0 110.652 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.57 -40.0 18.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.554 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p 43.15 49.4 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.998 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 97.8 mtt180 -103.35 -14.28 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.969 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 11.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.877 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.6 p -87.73 3.57 47.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.712 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HD2' ' O ' ' A' ' 9' ' ' ARG . 50.3 p90 -70.32 -19.94 63.04 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -114.01 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.495 0.664 . . . . 0.0 109.886 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -77.72 -9.57 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.724 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.613 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.166 178.28 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.023 0.439 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -114.88 122.15 45.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.899 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 m -111.84 152.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.948 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.83 95.93 6.51 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.082 0.468 . . . . 0.0 110.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -92.17 96.68 10.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.225 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 54.8 53.55 10.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.18 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.32 89.11 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.252 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.5 t -115.32 120.09 63.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -78.67 111.89 15.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.189 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.73 112.97 42.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.1 m -103.57 124.98 49.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.165 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.293 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.63 80.62 0.1 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.654 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -5.24 59.09 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.616 -0.343 . . . . 0.0 111.538 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -131.46 148.99 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -110.2 -54.6 2.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.138 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.54 160.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.969 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -95.58 15.16 20.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.61 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.42 27.4 8.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -80.95 8.35 8.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.498 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.378 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -144.3 157.35 44.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.237 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -101.56 -12.32 18.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.368 0.604 . . . . 0.0 110.197 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.418 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.572 -179.864 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 C--O 1.235 0.294 0 CA-C-O 121.032 0.444 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 58.2 m -98.27 111.79 24.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.853 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.93 153.5 18.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.785 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -91.75 108.62 20.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.782 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -108.11 109.45 20.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.569 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 63.86 35.4 11.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.563 0.696 . . . . 0.0 109.732 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.38 89.91 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.82 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -107.13 127.37 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.75 -0.265 . . . . 0.0 110.373 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -72.15 104.15 3.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.292 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -106.38 110.03 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.247 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 56.6 m -90.0 103.31 15.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.155 178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 121.554 0.692 . . . . 0.0 110.014 178.175 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 121.759 0.79 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.76 175.0 45.47 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.698 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -71.59 -14.58 62.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 111.294 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -110.99 129.04 56.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.097 0.475 . . . . 0.0 111.052 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -111.37 -10.35 14.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.767 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.98 124.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.594 0.711 . . . . 0.0 111.864 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -71.32 -16.9 62.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.375 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -9.8 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -71.88 -20.46 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -99.25 18.43 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.703 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -132.32 110.61 10.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.359 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -109.93 6.2 23.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.232 0.539 . . . . 0.0 109.919 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.734 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.603 -179.371 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.664 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -102.81 131.49 49.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.15 -176.503 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.27 148.95 27.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.843 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.39 102.9 10.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.127 0.489 . . . . 0.0 110.929 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -101.14 107.3 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.99 35.73 24.18 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.447 0.467 . . . . 0.0 111.05 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.0 -7.89 80.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.918 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.68 120.5 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 122.69 -0.3 . . . . 0.0 110.35 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.664 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 57.1 ttp180 -72.08 99.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.4 t -101.06 112.2 33.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.819 -176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 94.5 m -90.18 124.59 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.165 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.2 m80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.321 0.581 . . . . 0.0 111.48 -178.23 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.947 0.404 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.47 43.97 4.13 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.527 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -19.55 64.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -175.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -100.26 -12.36 19.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.288 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -94.1 -73.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.71 52.84 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -120.23 -17.42 8.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.931 -0.481 . . . . 0.0 110.909 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.81 16.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.245 0.545 . . . . 0.0 110.67 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 m -74.93 -32.33 61.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.368 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -86.27 -1.51 57.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 110.835 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -86.14 34.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.598 0.713 . . . . 0.0 109.772 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -110.66 6.29 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.082 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.269 -178.524 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.529 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 59.5 t . . . . . 0 C--O 1.235 0.322 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 99.0 m -91.79 121.5 33.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.66 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -125.94 147.47 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.415 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.99 95.23 9.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.18 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -94.12 112.28 24.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.431 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 61.82 29.15 17.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.21 -10.06 73.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.882 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -100.94 131.76 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.864 0.364 . . . . 0.0 110.749 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -69.92 99.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.9 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.33 119.38 59.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -105.35 123.34 47.71 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.313 -177.846 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.529 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 10.7 p-80 . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.556 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.987 0.422 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.93 78.54 1.34 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.878 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 7.8 ppt_? -68.82 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.453 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 6.7 p-90 -85.51 -11.92 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.127 0.489 . . . . 0.0 110.165 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -81.92 -10.46 59.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -75.53 64.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.729 0.776 . . . . 0.0 110.232 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -120.92 -5.5 9.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.308 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.14 11.56 20.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -68.43 -17.19 64.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.9 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -85.16 1.37 48.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.839 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.7 69.45 0.83 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.148 0.499 . . . . 0.0 110.135 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -83.53 -14.79 51.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.66 0.743 . . . . 0.0 109.752 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.756 178.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 56.0 m -98.16 116.98 31.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.905 -175.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.03 153.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 101.41 13.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.327 0.584 . . . . 0.0 110.753 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -112.81 114.6 27.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.009 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 61.86 35.12 16.66 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.672 0.607 . . . . 0.0 110.749 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.42 13.67 79.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.697 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.13 128.86 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -71.86 107.1 4.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.78 105.49 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.14 0.495 . . . . 0.0 110.124 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.0 m -91.4 106.09 18.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.172 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.803 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.63 110.76 3.17 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.401 -175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -47.32 73.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.832 0.348 . . . . 0.0 110.599 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -93.24 102.33 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.224 1.011 . . . . 0.0 111.217 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -111.27 -62.03 1.61 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.6 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 m -79.87 48.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.538 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -66.47 -36.46 82.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.729 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.75 9.02 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.192 0.52 . . . . 0.0 110.968 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 m -109.57 1.5 19.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.635 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -110.27 -70.18 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.02 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 56.5 45.02 23.24 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.605 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -105.54 7.15 32.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.339 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.518 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 51.6 t . . . . . 0 C--O 1.235 0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 63.8 m -105.25 118.01 35.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.464 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.55 159.85 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.921 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -106.77 88.93 2.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.864 0.364 . . . . 0.0 110.657 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -84.89 111.47 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.737 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.95 36.72 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.901 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.31 6.48 87.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.016 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.3 t -109.13 124.12 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.826 0.313 . . . . 0.0 110.329 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -72.92 117.49 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 14.7 p -123.26 137.15 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.881 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.8 m -117.55 112.29 20.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.929 0.395 . . . . 0.0 111.507 -175.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.518 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 21.2 p-80 . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.669 0.271 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.89 42.66 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.21 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -80.82 -16.86 52.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.363 0.601 . . . . 0.0 109.894 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.408 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 11.1 m95 -88.81 23.0 2.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.003 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -68.71 -19.88 64.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.216 0.532 . . . . 0.0 109.967 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.05 114.41 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.023 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -72.61 -13.57 61.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.409 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 0.62 8.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.368 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 p -71.82 -12.45 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.085 0.469 . . . . 0.0 110.744 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.38 -28.71 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.816 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -73.32 152.17 41.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.323 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.25 6.5 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.898 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.596 179.081 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 121.043 0.449 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.7 m -120.03 114.12 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.405 -176.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.51 142.89 23.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 17.0 m-85 -90.72 100.88 13.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.917 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.45 113.13 25.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.375 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 62.1 32.46 17.48 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.514 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.83 5.87 89.46 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.724 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 84.1 t -102.21 122.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -76.9 97.61 4.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.361 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -101.72 106.19 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 0.0 110.625 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.24 103.64 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.673 -177.442 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.37 92.14 1.38 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.739 -0.744 . . . . 0.0 111.447 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.47 -44.6 92.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 110.172 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.7 p90 -89.32 144.44 26.08 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.79 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -104.56 -21.71 13.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.495 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 10' ' ' ALA . 83.2 t -89.08 118.13 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.574 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.78 -14.07 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.575 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -65.96 -10.83 42.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 110.897 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 m -81.0 -21.85 39.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 109.718 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -88.32 -44.55 10.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.533 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -76.79 93.77 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.288 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -110.3 -2.01 16.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.501 0.667 . . . . 0.0 109.777 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.385 179.821 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.718 0.294 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.5 m -108.84 124.91 51.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.989 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 m -128.93 142.95 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.445 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -89.7 108.97 20.0 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.252 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 32' ' ' VAL . 96.5 mtt180 -127.48 127.51 44.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.507 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 63.8 23.84 13.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.276 0.56 . . . . 0.0 110.481 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.21 8.95 84.67 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.295 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 29' ' ' ARG . 9.8 p -122.81 145.3 29.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.112 0.456 . . . . 0.0 110.684 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -77.89 101.2 6.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 t -94.3 122.58 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 67.4 m -122.39 110.15 15.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.755 0.312 . . . . 0.0 110.653 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.8 p80 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 0.0 109.951 177.323 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.4 t -81.01 121.08 33.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -69.71 -30.98 68.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.247 0.546 . . . . 0.0 110.089 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.51 53.03 3.76 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.49 -42.93 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.028 0.442 . . . . 0.0 110.742 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -80.8 -7.9 59.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.716 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.4 -55.03 4.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.465 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t 66.48 103.02 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.664 0.602 . . . . 0.0 111.33 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.47 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 0.0 110.752 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -8.78 41.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.989 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -97.71 -9.26 27.01 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.665 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -83.57 -61.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.942 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 59.49 91.74 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 O-C-N 123.758 0.662 . . . . 0.0 110.661 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.58 -3.97 43.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.311 0.577 . . . . 0.0 110.683 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.49 173.06 12.89 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.777 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.37 -40.14 6.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.737 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.94 -153.15 17.53 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.15 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 -35.4 42.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.056 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -79.08 139.45 38.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.844 0.354 . . . . 0.0 110.576 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.38 67.29 0.46 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.76 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -108.27 159.36 16.69 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.0 60.27 2.5 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.756 0.66 . . . . 0.0 111.744 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -69.1 -48.23 63.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -110.35 137.19 48.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.794 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' HB ' ' CD2' ' A' ' 36' ' ' HIS . 41.4 t -114.1 110.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 71.1 m -90.7 109.34 20.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.325 0.583 . . . . 0.0 111.058 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.25 166.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.309 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -115.44 111.65 21.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.178 0.513 . . . . 0.0 110.65 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -101.52 89.62 3.79 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.625 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.98 44.04 8.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.74 -8.4 76.64 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.824 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.82 117.15 44.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.968 0.413 . . . . 0.0 110.645 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.72 113.22 9.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.209 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -116.4 110.11 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.906 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 38.4 m -98.18 104.53 16.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 0.0 110.092 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 3.8 p-80 -96.17 132.04 42.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.2 mtm105 -108.15 104.74 14.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.638 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -96.22 112.3 24.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 110.454 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -142.96 146.66 34.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.408 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.884 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.06 -37.49 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.878 0.371 . . . . 0.0 110.794 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -134.9 136.61 42.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.834 0.35 . . . . 0.0 110.362 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.88 140.52 11.43 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -63.76 -56.61 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 169.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 6.5 t90 171.92 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.708 173.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -74.27 -70.75 0.37 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.143 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.645 HG12 ' H ' ' A' ' 10' ' ' ALA . 19.8 t -135.33 143.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -66.43 -15.64 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.253 0.549 . . . . 0.0 110.248 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.645 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -116.62 28.85 8.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.158 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -64.93 -13.69 57.77 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.816 0.341 . . . . 0.0 111.518 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -89.2 -7.53 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.144 0.497 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.85 49.62 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.555 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -77.36 -3.33 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.62 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.87 135.13 12.42 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.914 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.25 29.51 5.93 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.153 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.41 88.19 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.051 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.2 -57.95 0.77 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.728 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -88.39 161.19 17.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.09 70.6 1.2 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -69.08 108.98 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.93 0.395 . . . . 0.0 109.936 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.94 14.98 9.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.307 0.575 . . . . 0.0 110.586 -177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -81.42 -17.84 47.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.6 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -61.94 144.64 54.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.902 177.58 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t -103.38 113.07 39.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 73.2 m -91.85 111.59 23.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.0 158.14 8.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.751 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.16 110.4 21.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.234 0.54 . . . . 0.0 110.444 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -110.18 105.95 15.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.966 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.9 t30 63.41 37.97 10.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.421 0.629 . . . . 0.0 110.366 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.63 86.08 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.661 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.59 130.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -82.48 113.57 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.907 0.384 . . . . 0.0 110.636 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 t -114.87 109.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.124 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.4 m -100.45 100.46 11.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 110.371 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -91.0 127.29 36.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' HG2' ' HB3' ' A' ' 24' ' ' ASN . 59.4 mtm180 -87.51 98.86 11.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.493 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -76.55 130.05 37.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.025 0.441 . . . . 0.0 111.525 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.49 6.91 4.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.816 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.5 t30 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.771 179.472 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.76 0.315 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 t -95.85 39.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.692 0.758 . . . . 0.0 110.146 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -125.42 84.69 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.6 16.53 28.83 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.879 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -25.49 68.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.084 0.442 . . . . 0.0 111.0 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -98.12 -11.41 22.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.334 0.588 . . . . 0.0 110.652 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.57 -40.0 18.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.554 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p 43.15 49.4 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.998 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 97.8 mtt180 -103.35 -14.28 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.969 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 11.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.877 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.6 p -87.73 3.57 47.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.712 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HD2' ' O ' ' A' ' 9' ' ' ARG . 50.3 p90 -70.32 -19.94 63.04 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -114.01 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.495 0.664 . . . . 0.0 109.886 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -77.72 -9.57 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.724 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.13 -9.8 86.59 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.166 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.28 -29.62 70.08 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.261 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.7 -72.3 1.12 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.77 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.23 -48.6 4.08 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.833 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 p -85.16 109.9 18.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.161 0.505 . . . . 0.0 111.225 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.0 89.37 1.61 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -55.03 139.91 39.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.055 0.455 . . . . 0.0 111.771 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.67 87.85 6.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.575 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -79.16 -21.64 46.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.51 101.52 4.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.583 0.706 . . . . 0.0 110.798 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -94.4 134.01 33.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.517 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -114.88 122.15 45.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.899 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 m -111.84 152.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.948 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.83 95.93 6.51 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.082 0.468 . . . . 0.0 110.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -92.17 96.68 10.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.225 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 54.8 53.55 10.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.18 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.32 89.11 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.252 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.5 t -115.32 120.09 63.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -78.67 111.89 15.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.189 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.73 112.97 42.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.1 m -103.57 124.98 49.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.165 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -119.86 154.7 33.95 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -127.77 100.76 6.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.66 0.267 . . . . 0.0 110.898 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -74.9 118.93 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 176.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.59 148.04 31.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.076 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.389 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.5 -64.69 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -122.43 -68.87 0.86 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.63 80.62 0.1 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.654 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -5.24 59.09 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.616 -0.343 . . . . 0.0 111.538 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -131.46 148.99 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -110.2 -54.6 2.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.138 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.54 160.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.969 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' NH2' ' HA ' ' A' ' 40' ' ' ASN . 37.0 mtm180 -95.58 15.16 20.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.61 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.42 27.4 8.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -80.95 8.35 8.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.498 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.378 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -144.3 157.35 44.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.237 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -101.56 -12.32 18.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.368 0.604 . . . . 0.0 110.197 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.0 -18.78 1.22 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.572 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.22 31.19 7.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.192 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.83 -0.96 90.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.592 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.86 31.56 43.56 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.705 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -65.83 116.11 6.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.752 0.31 . . . . 0.0 110.731 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.22 -33.8 69.2 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.429 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -99.88 125.56 45.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.4 85.43 6.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -92.13 -6.54 50.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.989 0.423 . . . . 0.0 110.754 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.528 ' OD1' ' HB3' ' A' ' 37' ' ' ARG . 36.4 m-80 -73.39 115.16 12.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.151 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t -97.06 106.56 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.032 0.444 . . . . 0.0 110.435 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 58.2 m -98.27 111.79 24.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.853 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.93 153.5 18.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.785 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -91.75 108.62 20.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.782 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -108.11 109.45 20.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.569 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 63.86 35.4 11.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.563 0.696 . . . . 0.0 109.732 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.38 89.91 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.82 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -107.13 127.37 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.75 -0.265 . . . . 0.0 110.373 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -72.15 104.15 3.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.292 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -106.38 110.03 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.247 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 56.6 m -90.0 103.31 15.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.155 178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -88.92 109.47 20.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.554 0.692 . . . . 0.0 110.014 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.528 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . 3.1 ptp180 -99.32 105.94 17.99 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.973 177.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 38' ' ' ARG . 3.8 tmt_? -76.59 113.08 13.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.949 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.56 3.22 3.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.274 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.423 ' HA ' ' NH2' ' A' ' 9' ' ' ARG . 23.7 t-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.512 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.961 0.41 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.0 p -80.43 100.28 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.6 0.714 . . . . 0.0 110.42 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -117.15 75.98 1.01 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.759 0.79 . . . . 0.0 110.636 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.76 175.0 45.47 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.698 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -71.59 -14.58 62.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 111.294 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -110.99 129.04 56.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.097 0.475 . . . . 0.0 111.052 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -111.37 -10.35 14.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.767 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.98 124.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.594 0.711 . . . . 0.0 111.864 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -71.32 -16.9 62.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.375 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -9.8 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -71.88 -20.46 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -99.25 18.43 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.703 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -132.32 110.61 10.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.359 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -109.93 6.2 23.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.232 0.539 . . . . 0.0 109.919 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.14 -124.18 8.06 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.603 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.46 -35.99 6.36 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.91 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.78 -32.33 1.09 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.789 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.94 46.37 0.56 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.038 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 m -94.76 108.77 20.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.889 0.376 . . . . 0.0 110.669 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.01 26.57 1.28 Allowed Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.478 ' HB2' ' NE1' ' A' ' 23' ' ' TRP . 87.3 m-85 -70.68 152.41 43.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.903 0.382 . . . . 0.0 110.432 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.5 74.34 6.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.219 -176.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.478 ' NE1' ' HB2' ' A' ' 21' ' ' PHE . 72.3 m95 -77.3 -24.86 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.433 0.635 . . . . 0.0 109.69 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -108.04 104.2 13.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.745 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.4 t -88.59 99.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.664 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -102.81 131.49 49.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.15 -176.503 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.27 148.95 27.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.843 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.39 102.9 10.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.127 0.489 . . . . 0.0 110.929 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -101.14 107.3 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.99 35.73 24.18 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.447 0.467 . . . . 0.0 111.05 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.0 -7.89 80.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.918 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.68 120.5 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 122.69 -0.3 . . . . 0.0 110.35 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.664 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 57.1 ttp180 -72.08 99.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.4 t -101.06 112.2 33.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.819 -176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 94.5 m -90.18 124.59 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.165 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -78.56 120.42 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.321 0.581 . . . . 0.0 111.48 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -114.51 111.27 21.12 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.304 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -69.47 113.98 7.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.626 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.54 65.63 8.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.203 0.525 . . . . 0.0 110.485 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.535 -0.745 . . . . 0.0 110.192 -177.587 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.586 0.231 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.7 t -77.87 114.04 17.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.394 . . . . 0.0 110.114 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -89.08 100.01 12.88 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.412 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.47 43.97 4.13 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.527 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -19.55 64.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -175.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -100.26 -12.36 19.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.288 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -94.1 -73.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.71 52.84 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -120.23 -17.42 8.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.931 -0.481 . . . . 0.0 110.909 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.81 16.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.245 0.545 . . . . 0.0 110.67 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 m -74.93 -32.33 61.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.368 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -86.27 -1.51 57.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 110.835 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -86.14 34.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.598 0.713 . . . . 0.0 109.772 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -110.66 6.29 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.082 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.66 -118.83 0.55 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.269 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.6 -36.44 62.31 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.987 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.4 -153.19 22.33 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.944 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.26 110.59 3.07 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.871 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.1 t -59.92 116.05 3.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.842 0.353 . . . . 0.0 110.256 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.25 71.22 2.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.014 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -76.87 143.24 39.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.64 87.54 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.998 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -85.41 18.75 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.455 . . . . 0.0 110.934 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -96.94 138.76 33.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.078 0.466 . . . . 0.0 110.829 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.529 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 59.5 t -123.12 116.87 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.681 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 99.0 m -91.79 121.5 33.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.66 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -125.94 147.47 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.415 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.99 95.23 9.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.18 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -94.12 112.28 24.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.431 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 61.82 29.15 17.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.21 -10.06 73.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.882 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -100.94 131.76 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.864 0.364 . . . . 0.0 110.749 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -69.92 99.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.9 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.33 119.38 59.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -105.35 123.34 47.71 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.313 -177.846 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 10.7 p-80 -96.39 114.05 25.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.556 176.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -96.36 107.68 20.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.216 -174.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -73.5 109.28 6.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.981 0.419 . . . . 0.0 110.787 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.27 17.87 21.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.44 0.638 . . . . 0.0 110.076 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.133 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.46 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 21.0 tpp180 . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.905 0.383 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 m -93.23 66.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.234 0.54 . . . . 0.0 112.099 -175.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.46 ' HG2' ' HG3' ' A' ' 1' ' ' ARG . 15.8 mm100 -82.49 74.63 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.164 176.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.93 78.54 1.34 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.878 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 7.8 ppt_? -68.82 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.453 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 6.7 p-90 -85.51 -11.92 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.127 0.489 . . . . 0.0 110.165 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -81.92 -10.46 59.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -75.53 64.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.729 0.776 . . . . 0.0 110.232 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -120.92 -5.5 9.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.308 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.14 11.56 20.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -68.43 -17.19 64.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.9 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -85.16 1.37 48.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.839 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.7 69.45 0.83 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.148 0.499 . . . . 0.0 110.135 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -83.53 -14.79 51.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.66 0.743 . . . . 0.0 109.752 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.4 116.37 0.61 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.756 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.04 8.38 21.24 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.293 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.83 41.96 71.58 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.929 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.29 -123.37 7.59 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.485 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -73.35 109.12 6.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.04 0.448 . . . . 0.0 110.466 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.41 -28.17 13.58 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.803 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.26 107.56 17.36 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.17 61.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.508 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -135.11 77.6 1.69 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.901 0.858 . . . . 0.0 111.446 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 4.1 p-10 -74.4 108.29 7.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.728 173.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 t -88.69 99.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 56.0 m -98.16 116.98 31.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.905 -175.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.03 153.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 101.41 13.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.327 0.584 . . . . 0.0 110.753 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -112.81 114.6 27.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.009 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 61.86 35.12 16.66 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.672 0.607 . . . . 0.0 110.749 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.42 13.67 79.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.697 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.13 128.86 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -71.86 107.1 4.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.78 105.49 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.14 0.495 . . . . 0.0 110.124 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.0 m -91.4 106.09 18.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.172 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -100.48 140.08 35.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 24' ' ' ASN . 53.9 mtt180 -126.45 158.14 36.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.653 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -82.95 133.07 35.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.176 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.01 47.95 9.19 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.657 0.598 . . . . 0.0 110.795 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.5 t30 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.357 -177.869 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 t -100.86 78.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.026 0.441 . . . . 0.0 110.006 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -85.92 89.9 7.92 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.63 110.76 3.17 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.401 -175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -47.32 73.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.832 0.348 . . . . 0.0 110.599 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -93.24 102.33 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.224 1.011 . . . . 0.0 111.217 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -111.27 -62.03 1.61 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.6 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 m -79.87 48.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.538 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -66.47 -36.46 82.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.729 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.75 9.02 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.192 0.52 . . . . 0.0 110.968 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 m -109.57 1.5 19.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.635 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -110.27 -70.18 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.02 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 56.5 45.02 23.24 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.605 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -105.54 7.15 32.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.92 -107.61 2.37 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.27 5.18 44.95 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.961 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.3 -106.12 0.92 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.09 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.94 -74.43 2.17 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.693 -177.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -72.11 123.93 23.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.74 78.88 1.15 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.991 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -90.34 108.97 20.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 38' ' ' ARG . . . -148.96 179.43 7.87 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.853 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -95.81 63.72 2.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.866 0.841 . . . . 0.0 109.164 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -69.52 118.07 11.92 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.179 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.518 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 51.6 t -109.29 121.58 62.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.344 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 63.8 m -105.25 118.01 35.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.464 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.55 159.85 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.921 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -106.77 88.93 2.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.864 0.364 . . . . 0.0 110.657 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -84.89 111.47 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.737 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.95 36.72 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.901 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.31 6.48 87.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.016 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.3 t -109.13 124.12 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.826 0.313 . . . . 0.0 110.329 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -72.92 117.49 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 14.7 p -123.26 137.15 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.881 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.8 m -117.55 112.29 20.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.929 0.395 . . . . 0.0 111.507 -175.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 21.2 p-80 -95.33 127.99 41.81 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -92.18 107.31 19.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.925 0.393 . . . . 0.0 110.96 -174.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 19.2 tpp180 -85.74 106.87 17.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.3 -4.46 3.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.788 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 . . . . . 0 C--O 1.246 0.884 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.678 179.498 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.939 0.4 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.7 p -146.13 79.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.312 1.053 . . . . 0.0 110.247 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -84.65 139.77 31.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.616 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.89 42.66 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.21 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -80.82 -16.86 52.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.363 0.601 . . . . 0.0 109.894 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.408 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 11.1 m95 -88.81 23.0 2.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.003 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -68.71 -19.88 64.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.216 0.532 . . . . 0.0 109.967 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.05 114.41 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.023 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -72.61 -13.57 61.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.409 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 0.62 8.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.368 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 p -71.82 -12.45 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.085 0.469 . . . . 0.0 110.744 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.38 -28.71 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.816 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -73.32 152.17 41.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.323 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.25 6.5 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 162.68 -172.26 38.7 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.596 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.82 30.23 6.73 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.62 -103.23 2.65 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.673 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.08 23.88 2.86 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.01 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 t -100.97 127.54 47.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.741 0.305 . . . . 0.0 110.894 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.95 71.95 2.93 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 175.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -74.34 122.57 23.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.507 -0.346 . . . . 0.0 111.572 -173.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' A' ' 38' ' ' ARG . . . 62.75 41.21 9.25 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.997 175.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.463 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 5.2 m-90 60.33 90.6 0.06 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.15 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -89.0 97.88 11.45 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 m -113.22 150.37 15.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.078 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.7 m -120.03 114.12 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.405 -176.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.51 142.89 23.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 17.0 m-85 -90.72 100.88 13.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.917 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.45 113.13 25.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.375 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 62.1 32.46 17.48 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.514 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.83 5.87 89.46 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.724 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 84.1 t -102.21 122.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -76.9 97.61 4.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.361 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -101.72 106.19 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 0.0 110.625 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.24 103.64 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -96.72 127.74 42.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.673 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -112.57 140.54 47.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.558 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' NH1' ' HB2' ' A' ' 23' ' ' TRP . 55.7 mtt85 -100.26 109.38 21.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.03 65.99 9.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 0.0 110.173 177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m120 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.625 -0.702 . . . . 0.0 110.25 -178.07 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 2' ' ' VAL . 15.2 t 60.24 38.55 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 122.096 0.951 . . . . 0.0 109.616 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.25 96.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.683 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.37 92.14 1.38 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.739 -0.744 . . . . 0.0 111.447 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.47 -44.6 92.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 110.172 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.7 p90 -89.32 144.44 26.08 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.79 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -104.56 -21.71 13.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.495 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 10' ' ' ALA . 83.2 t -89.08 118.13 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.574 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.78 -14.07 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.575 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -65.96 -10.83 42.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 110.897 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 m -81.0 -21.85 39.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 109.718 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -88.32 -44.55 10.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.533 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -76.79 93.77 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.288 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -110.3 -2.01 16.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.501 0.667 . . . . 0.0 109.777 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.19 -111.59 4.11 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.385 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.77 13.14 38.57 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.158 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.8 -103.52 3.04 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.606 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.02 -28.47 49.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.837 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -76.14 126.25 30.65 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.88 -3.62 67.6 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.959 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -106.64 143.18 35.11 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.45 74.31 0.42 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.488 0.493 . . . . 0.0 111.357 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -71.54 -38.1 71.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.971 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -103.29 115.93 31.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.304 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.5 t -102.36 127.55 55.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.764 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.5 m -108.84 124.91 51.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.989 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 m -128.93 142.95 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.445 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -89.7 108.97 20.0 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.252 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 32' ' ' VAL . 96.5 mtt180 -127.48 127.51 44.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.507 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 63.8 23.84 13.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.276 0.56 . . . . 0.0 110.481 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.21 8.95 84.67 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.295 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 29' ' ' ARG . 9.8 p -122.81 145.3 29.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.112 0.456 . . . . 0.0 110.684 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -77.89 101.2 6.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 t -94.3 122.58 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 67.4 m -122.39 110.15 15.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.755 0.312 . . . . 0.0 110.653 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -93.23 129.66 39.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 0.0 109.951 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -95.21 158.13 15.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.035 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -76.61 109.29 10.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.31 -2.67 22.03 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.599 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.2 t30 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.385 -0.817 . . . . 0.0 109.848 178.011 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.247 0.546 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.51 53.03 3.76 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.49 -42.93 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.028 0.442 . . . . 0.0 110.742 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -80.8 -7.9 59.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.716 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.4 -55.03 4.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.465 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t 66.48 103.02 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.664 0.602 . . . . 0.0 111.33 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.47 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 0.0 110.752 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -8.78 41.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.989 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -97.71 -9.26 27.01 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.665 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -83.57 -61.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.942 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 59.49 91.74 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 O-C-N 123.758 0.662 . . . . 0.0 110.661 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.58 -3.97 43.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.311 0.577 . . . . 0.0 110.683 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.777 179.312 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.42 ' HB ' ' CD2' ' A' ' 36' ' ' HIS . 41.4 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 71.1 m -90.7 109.34 20.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.325 0.583 . . . . 0.0 111.058 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.25 166.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.309 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -115.44 111.65 21.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.178 0.513 . . . . 0.0 110.65 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -101.52 89.62 3.79 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.625 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.98 44.04 8.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.74 -8.4 76.64 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.824 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.82 117.15 44.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.968 0.413 . . . . 0.0 110.645 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.72 113.22 9.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.209 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -116.4 110.11 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.906 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 38.4 m -98.18 104.53 16.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 0.0 110.092 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.42 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 3.8 p-80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.88 140.52 11.43 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -63.76 -56.61 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 169.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 6.5 t90 171.92 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.708 173.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -74.27 -70.75 0.37 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.143 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.645 HG12 ' H ' ' A' ' 10' ' ' ALA . 19.8 t -135.33 143.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -66.43 -15.64 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.253 0.549 . . . . 0.0 110.248 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.645 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -116.62 28.85 8.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.158 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -64.93 -13.69 57.77 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.816 0.341 . . . . 0.0 111.518 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -89.2 -7.53 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.144 0.497 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.85 49.62 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.555 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -77.36 -3.33 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.62 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.729 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.914 179.78 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 73.2 m -91.85 111.59 23.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.0 158.14 8.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.751 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.16 110.4 21.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.234 0.54 . . . . 0.0 110.444 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -110.18 105.95 15.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.966 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 63.41 37.97 10.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.421 0.629 . . . . 0.0 110.366 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.63 86.08 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.661 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.59 130.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -82.48 113.57 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.907 0.384 . . . . 0.0 110.636 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 t -114.87 109.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.124 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.4 m -100.45 100.46 11.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 110.371 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -179.477 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.134 0.492 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.6 16.53 28.83 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.879 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -25.49 68.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.084 0.442 . . . . 0.0 111.0 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -98.12 -11.41 22.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.334 0.588 . . . . 0.0 110.652 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.57 -40.0 18.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.554 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p 43.15 49.4 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.998 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 97.8 mtt180 -103.35 -14.28 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.969 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 11.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.877 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.6 p -87.73 3.57 47.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.712 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HD2' ' O ' ' A' ' 9' ' ' ARG . 50.3 p90 -70.32 -19.94 63.04 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -114.01 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.495 0.664 . . . . 0.0 109.886 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -77.72 -9.57 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.724 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.613 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.166 178.28 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.023 0.439 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -114.88 122.15 45.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.899 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 m -111.84 152.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.948 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.83 95.93 6.51 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.082 0.468 . . . . 0.0 110.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -92.17 96.68 10.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.225 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 54.8 53.55 10.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.18 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.32 89.11 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.252 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.5 t -115.32 120.09 63.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -78.67 111.89 15.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.189 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.73 112.97 42.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.1 m -103.57 124.98 49.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.165 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.293 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.63 80.62 0.1 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.654 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -5.24 59.09 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.616 -0.343 . . . . 0.0 111.538 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -131.46 148.99 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -110.2 -54.6 2.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.138 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.54 160.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.969 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -95.58 15.16 20.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.61 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.42 27.4 8.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -80.95 8.35 8.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.498 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.378 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -144.3 157.35 44.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.237 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -101.56 -12.32 18.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.368 0.604 . . . . 0.0 110.197 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.418 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.572 -179.864 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 C--O 1.235 0.294 0 CA-C-O 121.032 0.444 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 58.2 m -98.27 111.79 24.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.853 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.93 153.5 18.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.785 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -91.75 108.62 20.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.782 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -108.11 109.45 20.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.569 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 63.86 35.4 11.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.563 0.696 . . . . 0.0 109.732 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.38 89.91 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.82 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -107.13 127.37 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.75 -0.265 . . . . 0.0 110.373 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -72.15 104.15 3.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.292 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -106.38 110.03 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.247 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 56.6 m -90.0 103.31 15.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.155 178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 121.554 0.692 . . . . 0.0 110.014 178.175 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 121.759 0.79 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.76 175.0 45.47 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.698 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -71.59 -14.58 62.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 111.294 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -110.99 129.04 56.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.097 0.475 . . . . 0.0 111.052 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -111.37 -10.35 14.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.767 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.98 124.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.594 0.711 . . . . 0.0 111.864 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -71.32 -16.9 62.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.375 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -9.8 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -71.88 -20.46 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -99.25 18.43 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.703 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -132.32 110.61 10.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.359 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -109.93 6.2 23.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.232 0.539 . . . . 0.0 109.919 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.734 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.603 -179.371 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.664 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -102.81 131.49 49.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.15 -176.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.27 148.95 27.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.843 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.39 102.9 10.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.127 0.489 . . . . 0.0 110.929 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -101.14 107.3 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.99 35.73 24.18 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.447 0.467 . . . . 0.0 111.05 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.0 -7.89 80.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.918 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.68 120.5 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 122.69 -0.3 . . . . 0.0 110.35 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.664 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 57.1 ttp180 -72.08 99.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.4 t -101.06 112.2 33.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.819 -176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 94.5 m -90.18 124.59 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.165 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.2 m80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.321 0.581 . . . . 0.0 111.48 -178.23 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.947 0.404 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.47 43.97 4.13 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.527 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -19.55 64.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -175.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -100.26 -12.36 19.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.288 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -94.1 -73.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.71 52.84 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -120.23 -17.42 8.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.931 -0.481 . . . . 0.0 110.909 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.81 16.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.245 0.545 . . . . 0.0 110.67 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 m -74.93 -32.33 61.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.368 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -86.27 -1.51 57.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 110.835 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -86.14 34.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.598 0.713 . . . . 0.0 109.772 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -110.66 6.29 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.082 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.269 -178.524 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.529 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 59.5 t . . . . . 0 C--O 1.235 0.322 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 99.0 m -91.79 121.5 33.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.66 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -125.94 147.47 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.415 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.99 95.23 9.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.18 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -94.12 112.28 24.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.431 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 61.82 29.15 17.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.21 -10.06 73.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.882 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -100.94 131.76 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.864 0.364 . . . . 0.0 110.749 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -69.92 99.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.9 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.33 119.38 59.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -105.35 123.34 47.71 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.313 -177.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.529 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 10.7 p-80 . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.556 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.987 0.422 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.93 78.54 1.34 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.878 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 7.8 ppt_? -68.82 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.453 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 6.7 p-90 -85.51 -11.92 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.127 0.489 . . . . 0.0 110.165 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -81.92 -10.46 59.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -75.53 64.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.729 0.776 . . . . 0.0 110.232 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -120.92 -5.5 9.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.308 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.14 11.56 20.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -68.43 -17.19 64.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.9 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -85.16 1.37 48.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.839 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.7 69.45 0.83 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.148 0.499 . . . . 0.0 110.135 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -83.53 -14.79 51.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.66 0.743 . . . . 0.0 109.752 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.756 178.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 56.0 m -98.16 116.98 31.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.905 -175.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.03 153.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 101.41 13.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.327 0.584 . . . . 0.0 110.753 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -112.81 114.6 27.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.009 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 61.86 35.12 16.66 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.672 0.607 . . . . 0.0 110.749 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.42 13.67 79.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.697 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.13 128.86 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -71.86 107.1 4.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.78 105.49 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.14 0.495 . . . . 0.0 110.124 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.0 m -91.4 106.09 18.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.172 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.803 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.63 110.76 3.17 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.401 -175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -47.32 73.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.832 0.348 . . . . 0.0 110.599 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -93.24 102.33 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.224 1.011 . . . . 0.0 111.217 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -111.27 -62.03 1.61 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.6 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 m -79.87 48.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.538 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -66.47 -36.46 82.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.729 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.75 9.02 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.192 0.52 . . . . 0.0 110.968 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 m -109.57 1.5 19.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.635 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -110.27 -70.18 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.02 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 56.5 45.02 23.24 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.605 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -105.54 7.15 32.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.339 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.518 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 51.6 t . . . . . 0 C--O 1.235 0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 63.8 m -105.25 118.01 35.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.464 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.55 159.85 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.921 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -106.77 88.93 2.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.864 0.364 . . . . 0.0 110.657 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -84.89 111.47 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.737 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.95 36.72 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.901 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.31 6.48 87.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.016 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.3 t -109.13 124.12 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.826 0.313 . . . . 0.0 110.329 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -72.92 117.49 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 14.7 p -123.26 137.15 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.881 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.8 m -117.55 112.29 20.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.929 0.395 . . . . 0.0 111.507 -175.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.518 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 21.2 p-80 . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.669 0.271 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.89 42.66 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.21 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -80.82 -16.86 52.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.363 0.601 . . . . 0.0 109.894 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.408 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 11.1 m95 -88.81 23.0 2.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.003 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -68.71 -19.88 64.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.216 0.532 . . . . 0.0 109.967 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.05 114.41 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.023 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -72.61 -13.57 61.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.409 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 0.62 8.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.368 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 p -71.82 -12.45 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.085 0.469 . . . . 0.0 110.744 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.38 -28.71 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.816 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -73.32 152.17 41.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.323 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.25 6.5 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.898 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.596 179.081 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 121.043 0.449 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.7 m -120.03 114.12 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.405 -176.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.51 142.89 23.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 17.0 m-85 -90.72 100.88 13.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.917 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.45 113.13 25.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.375 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 62.1 32.46 17.48 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.514 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.83 5.87 89.46 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.724 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 84.1 t -102.21 122.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -76.9 97.61 4.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.361 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -101.72 106.19 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 0.0 110.625 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.24 103.64 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.673 -177.442 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.37 92.14 1.38 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.739 -0.744 . . . . 0.0 111.447 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.47 -44.6 92.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 110.172 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.7 p90 -89.32 144.44 26.08 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.79 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -104.56 -21.71 13.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.495 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 10' ' ' ALA . 83.2 t -89.08 118.13 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.574 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.78 -14.07 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.575 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -65.96 -10.83 42.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 110.897 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 m -81.0 -21.85 39.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 109.718 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -88.32 -44.55 10.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.533 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -76.79 93.77 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.288 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -110.3 -2.01 16.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.501 0.667 . . . . 0.0 109.777 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.385 179.821 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.564 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 95.5 t . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.718 0.294 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.5 m -108.84 124.91 51.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.989 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 m -128.93 142.95 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.445 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -89.7 108.97 20.0 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.252 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 32' ' ' VAL . 96.5 mtt180 -127.48 127.51 44.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.507 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 63.8 23.84 13.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.276 0.56 . . . . 0.0 110.481 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.21 8.95 84.67 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.295 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 29' ' ' ARG . 9.8 p -122.81 145.3 29.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.112 0.456 . . . . 0.0 110.684 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -77.89 101.2 6.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 t -94.3 122.58 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 67.4 m -122.39 110.15 15.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.755 0.312 . . . . 0.0 110.653 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.564 ' CE1' ' HB ' ' A' ' 25' ' ' VAL . 41.0 p-80 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 0.0 109.951 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.4 t -81.01 121.08 33.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -69.71 -30.98 68.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.247 0.546 . . . . 0.0 110.089 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.51 53.03 3.76 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.49 -42.93 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.028 0.442 . . . . 0.0 110.742 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -80.8 -7.9 59.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.716 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.4 -55.03 4.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.465 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.6 t 66.48 103.02 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.664 0.602 . . . . 0.0 111.33 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.47 -29.44 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 0.0 110.752 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.19 -8.78 41.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.989 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.4 p -97.71 -9.26 27.01 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.665 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -83.57 -61.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.942 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 59.49 91.74 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 O-C-N 123.758 0.662 . . . . 0.0 110.661 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.58 -3.97 43.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.311 0.577 . . . . 0.0 110.683 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.49 173.06 12.89 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.777 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.37 -40.14 6.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.737 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.94 -153.15 17.53 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.15 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 -35.4 42.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.056 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -79.08 139.45 38.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.844 0.354 . . . . 0.0 110.576 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.38 67.29 0.46 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.76 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -108.27 159.36 16.69 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.0 60.27 2.5 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.756 0.66 . . . . 0.0 111.744 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -69.1 -48.23 63.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -110.35 137.19 48.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.794 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' HB ' ' CD2' ' A' ' 36' ' ' HIS . 41.4 t -114.1 110.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 71.1 m -90.7 109.34 20.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.325 0.583 . . . . 0.0 111.058 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.25 166.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.309 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -115.44 111.65 21.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.178 0.513 . . . . 0.0 110.65 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -101.52 89.62 3.79 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.625 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.98 44.04 8.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.74 -8.4 76.64 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.824 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.82 117.15 44.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.968 0.413 . . . . 0.0 110.645 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.72 113.22 9.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.209 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -116.4 110.11 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.906 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 38.4 m -98.18 104.53 16.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.995 0.426 . . . . 0.0 110.092 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 3.8 p-80 -96.17 132.04 42.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.2 mtm105 -108.15 104.74 14.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.638 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -96.22 112.3 24.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 110.454 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -142.96 146.66 34.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.408 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.884 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.06 -37.49 72.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.878 0.371 . . . . 0.0 110.794 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -134.9 136.61 42.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.834 0.35 . . . . 0.0 110.362 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.88 140.52 11.43 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -63.76 -56.61 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 169.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 6.5 t90 171.92 -61.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.708 173.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -74.27 -70.75 0.37 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.143 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.645 HG12 ' H ' ' A' ' 10' ' ' ALA . 19.8 t -135.33 143.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -66.43 -15.64 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.253 0.549 . . . . 0.0 110.248 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.645 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -116.62 28.85 8.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.158 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.2 m -64.93 -13.69 57.77 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.816 0.341 . . . . 0.0 111.518 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -89.2 -7.53 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.144 0.497 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.85 49.62 2.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.555 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -77.36 -3.33 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.62 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.87 135.13 12.42 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.914 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -120.25 29.51 5.93 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.153 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.41 88.19 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.051 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.2 -57.95 0.77 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.728 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -88.39 161.19 17.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.09 70.6 1.2 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -69.08 108.98 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.93 0.395 . . . . 0.0 109.936 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.94 14.98 9.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.307 0.575 . . . . 0.0 110.586 -177.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -81.42 -17.84 47.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.6 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -61.94 144.64 54.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.902 177.58 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t -103.38 113.07 39.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 73.2 m -91.85 111.59 23.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.027 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.0 158.14 8.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.751 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.16 110.4 21.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.234 0.54 . . . . 0.0 110.444 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -110.18 105.95 15.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.966 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 63.41 37.97 10.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.421 0.629 . . . . 0.0 110.366 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.63 86.08 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.661 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.59 130.01 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -82.48 113.57 20.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.907 0.384 . . . . 0.0 110.636 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 t -114.87 109.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.124 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.4 m -100.45 100.46 11.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 110.371 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -91.0 127.29 36.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' HG2' ' HB3' ' A' ' 24' ' ' ASN . 59.4 mtm180 -87.51 98.86 11.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.493 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -76.55 130.05 37.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.025 0.441 . . . . 0.0 111.525 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.49 6.91 4.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.816 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.5 t30 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.399 -0.81 . . . . 0.0 109.771 179.472 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.76 0.315 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 t -95.85 39.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.692 0.758 . . . . 0.0 110.146 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -125.42 84.69 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.6 16.53 28.83 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.879 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -25.49 68.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 117.084 0.442 . . . . 0.0 111.0 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -98.12 -11.41 22.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.334 0.588 . . . . 0.0 110.652 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -84.57 -40.0 18.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.554 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p 43.15 49.4 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 122.553 1.168 . . . . 0.0 110.998 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 97.8 mtt180 -103.35 -14.28 16.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.969 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.93 11.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.877 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.6 p -87.73 3.57 47.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.712 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HD2' ' O ' ' A' ' 9' ' ' ARG . 50.3 p90 -70.32 -19.94 63.04 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -114.01 107.9 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.495 0.664 . . . . 0.0 109.886 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -77.72 -9.57 59.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.724 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.13 -9.8 86.59 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.166 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.28 -29.62 70.08 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.261 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.7 -72.3 1.12 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.77 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.23 -48.6 4.08 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.833 176.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 p -85.16 109.9 18.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.161 0.505 . . . . 0.0 111.225 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.0 89.37 1.61 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -55.03 139.91 39.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.055 0.455 . . . . 0.0 111.771 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.67 87.85 6.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.575 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -79.16 -21.64 46.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -74.51 101.52 4.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.583 0.706 . . . . 0.0 110.798 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -94.4 134.01 33.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.517 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -114.88 122.15 45.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.899 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 m -111.84 152.71 13.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.948 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.83 95.93 6.51 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.082 0.468 . . . . 0.0 110.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -92.17 96.68 10.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.225 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 54.8 53.55 10.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.18 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.85 0.32 89.11 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.252 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.5 t -115.32 120.09 63.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.36 . . . . 0.0 110.798 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -78.67 111.89 15.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.189 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.73 112.97 42.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.1 m -103.57 124.98 49.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.165 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -119.86 154.7 33.95 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -127.77 100.76 6.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.66 0.267 . . . . 0.0 110.898 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -74.9 118.93 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 176.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.59 148.04 31.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.076 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.389 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.5 -64.69 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -122.43 -68.87 0.86 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.63 80.62 0.1 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.654 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -5.24 59.09 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.616 -0.343 . . . . 0.0 111.538 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -131.46 148.99 52.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -110.2 -54.6 2.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.138 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.54 160.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.969 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' NH2' ' HA ' ' A' ' 40' ' ' ASN . 37.0 mtm180 -95.58 15.16 20.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.61 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.42 27.4 8.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 m -80.95 8.35 8.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.498 -177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.378 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -144.3 157.35 44.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.237 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -101.56 -12.32 18.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.368 0.604 . . . . 0.0 110.197 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.0 -18.78 1.22 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.572 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -112.22 31.19 7.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.192 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.83 -0.96 90.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.592 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.86 31.56 43.56 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.705 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -65.83 116.11 6.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.752 0.31 . . . . 0.0 110.731 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.22 -33.8 69.2 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.429 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -99.88 125.56 45.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.4 85.43 6.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -92.13 -6.54 50.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.989 0.423 . . . . 0.0 110.754 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.528 ' OD1' ' HB3' ' A' ' 37' ' ' ARG . 36.4 m-80 -73.39 115.16 12.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.151 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t -97.06 106.56 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.032 0.444 . . . . 0.0 110.435 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 58.2 m -98.27 111.79 24.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.853 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.93 153.5 18.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.785 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -91.75 108.62 20.04 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.782 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -108.11 109.45 20.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.569 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 63.86 35.4 11.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.563 0.696 . . . . 0.0 109.732 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.02 1.38 89.91 Favored Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.82 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -107.13 127.37 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.75 -0.265 . . . . 0.0 110.373 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -72.15 104.15 3.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.292 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.0 t -106.38 110.03 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.247 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 56.6 m -90.0 103.31 15.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.155 178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -88.92 109.47 20.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.554 0.692 . . . . 0.0 110.014 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.528 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . 3.1 ptp180 -99.32 105.94 17.99 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.973 177.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 38' ' ' ARG . 3.8 tmt_? -76.59 113.08 13.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.949 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.56 3.22 3.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.274 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.423 ' HA ' ' NH2' ' A' ' 9' ' ' ARG . 23.7 t-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.512 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.961 0.41 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.0 p -80.43 100.28 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.6 0.714 . . . . 0.0 110.42 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -117.15 75.98 1.01 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.759 0.79 . . . . 0.0 110.636 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.76 175.0 45.47 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.698 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -71.59 -14.58 62.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 111.294 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -110.99 129.04 56.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.097 0.475 . . . . 0.0 111.052 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -111.37 -10.35 14.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.767 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.98 124.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.594 0.711 . . . . 0.0 111.864 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -71.32 -16.9 62.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.375 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -9.8 52.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -71.88 -20.46 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -99.25 18.43 17.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.703 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -132.32 110.61 10.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.359 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -109.93 6.2 23.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.232 0.539 . . . . 0.0 109.919 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.14 -124.18 8.06 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.603 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.46 -35.99 6.36 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.91 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.78 -32.33 1.09 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.789 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.94 46.37 0.56 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.038 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 m -94.76 108.77 20.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.889 0.376 . . . . 0.0 110.669 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.01 26.57 1.28 Allowed Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.478 ' HB2' ' NE1' ' A' ' 23' ' ' TRP . 87.3 m-85 -70.68 152.41 43.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.903 0.382 . . . . 0.0 110.432 -177.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.5 74.34 6.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.219 -176.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.478 ' NE1' ' HB2' ' A' ' 21' ' ' PHE . 72.3 m95 -77.3 -24.86 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.433 0.635 . . . . 0.0 109.69 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -108.04 104.2 13.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.745 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.4 t -88.59 99.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.664 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -102.81 131.49 49.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.15 -176.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.27 148.95 27.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.843 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.39 102.9 10.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.127 0.489 . . . . 0.0 110.929 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -101.14 107.3 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 58.99 35.73 24.18 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.447 0.467 . . . . 0.0 111.05 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.0 -7.89 80.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.918 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.68 120.5 49.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 122.69 -0.3 . . . . 0.0 110.35 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.664 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 57.1 ttp180 -72.08 99.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.4 t -101.06 112.2 33.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.819 -176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 94.5 m -90.18 124.59 34.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.165 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -78.56 120.42 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.321 0.581 . . . . 0.0 111.48 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -114.51 111.27 21.12 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.304 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -69.47 113.98 7.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.626 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.54 65.63 8.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.203 0.525 . . . . 0.0 110.485 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.535 -0.745 . . . . 0.0 110.192 -177.587 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.586 0.231 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.7 t -77.87 114.04 17.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.394 . . . . 0.0 110.114 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -89.08 100.01 12.88 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.412 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.47 43.97 4.13 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.527 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -19.55 64.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -175.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -100.26 -12.36 19.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.288 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -94.1 -73.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -170.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -146.71 52.84 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -120.23 -17.42 8.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.931 -0.481 . . . . 0.0 110.909 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.81 16.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.245 0.545 . . . . 0.0 110.67 176.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 m -74.93 -32.33 61.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.368 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -86.27 -1.51 57.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 110.835 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -86.14 34.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.598 0.713 . . . . 0.0 109.772 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -110.66 6.29 21.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.082 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.66 -118.83 0.55 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.269 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.6 -36.44 62.31 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.987 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.4 -153.19 22.33 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.944 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.26 110.59 3.07 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.871 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.1 t -59.92 116.05 3.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.842 0.353 . . . . 0.0 110.256 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.25 71.22 2.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.014 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -76.87 143.24 39.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.64 87.54 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.998 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -85.41 18.75 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.455 . . . . 0.0 110.934 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -96.94 138.76 33.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.078 0.466 . . . . 0.0 110.829 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.529 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 59.5 t -123.12 116.87 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.681 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 99.0 m -91.79 121.5 33.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.66 -178.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 m -125.94 147.47 30.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.415 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.99 95.23 9.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.18 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -94.12 112.28 24.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.431 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 61.82 29.15 17.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.21 -10.06 73.94 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.882 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -100.94 131.76 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.864 0.364 . . . . 0.0 110.749 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -69.92 99.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.9 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.33 119.38 59.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -105.35 123.34 47.71 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.313 -177.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 10.7 p-80 -96.39 114.05 25.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.556 176.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -96.36 107.68 20.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.216 -174.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -73.5 109.28 6.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.981 0.419 . . . . 0.0 110.787 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.27 17.87 21.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.44 0.638 . . . . 0.0 110.076 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.133 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.46 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 21.0 tpp180 . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.905 0.383 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 m -93.23 66.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.234 0.54 . . . . 0.0 112.099 -175.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.46 ' HG2' ' HG3' ' A' ' 1' ' ' ARG . 15.8 mm100 -82.49 74.63 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.164 176.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.93 78.54 1.34 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.878 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 7.8 ppt_? -68.82 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.723 0.297 . . . . 0.0 111.22 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.453 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 6.7 p-90 -85.51 -11.92 53.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.127 0.489 . . . . 0.0 110.165 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -81.92 -10.46 59.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -75.53 64.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.729 0.776 . . . . 0.0 110.232 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -120.92 -5.5 9.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.308 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.14 11.56 20.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.639 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 p -68.43 -17.19 64.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.9 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -85.16 1.37 48.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.839 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.7 69.45 0.83 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.148 0.499 . . . . 0.0 110.135 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -83.53 -14.79 51.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.66 0.743 . . . . 0.0 109.752 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.4 116.37 0.61 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.756 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.04 8.38 21.24 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.293 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.83 41.96 71.58 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.929 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.29 -123.37 7.59 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.485 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -73.35 109.12 6.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.04 0.448 . . . . 0.0 110.466 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.41 -28.17 13.58 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.803 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.26 107.56 17.36 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.17 61.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.508 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -135.11 77.6 1.69 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.901 0.858 . . . . 0.0 111.446 -174.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 4.1 p-10 -74.4 108.29 7.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.728 173.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 t -88.69 99.56 9.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 35' ' ' CYS . 56.0 m -98.16 116.98 31.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.905 -175.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.03 153.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.642 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 101.41 13.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.327 0.584 . . . . 0.0 110.753 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -112.81 114.6 27.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.009 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 61.86 35.12 16.66 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.672 0.607 . . . . 0.0 110.749 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.42 13.67 79.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.697 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.13 128.86 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -71.86 107.1 4.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.2 t -105.78 105.49 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.14 0.495 . . . . 0.0 110.124 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 60.0 m -91.4 106.09 18.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.172 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -100.48 140.08 35.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 24' ' ' ASN . 53.9 mtt180 -126.45 158.14 36.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.653 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -82.95 133.07 35.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.176 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.01 47.95 9.19 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.657 0.598 . . . . 0.0 110.795 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.5 t30 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.357 -177.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 t -100.86 78.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.026 0.441 . . . . 0.0 110.006 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -85.92 89.9 7.92 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.63 110.76 3.17 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.401 -175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -47.32 73.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.832 0.348 . . . . 0.0 110.599 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -93.24 102.33 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.224 1.011 . . . . 0.0 111.217 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -111.27 -62.03 1.61 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.6 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 m -79.87 48.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.538 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -66.47 -36.46 82.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.729 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.75 9.02 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.192 0.52 . . . . 0.0 110.968 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 m -109.57 1.5 19.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.635 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -110.27 -70.18 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.02 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 56.5 45.02 23.24 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.605 -174.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -105.54 7.15 32.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.92 -107.61 2.37 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.27 5.18 44.95 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.961 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.3 -106.12 0.92 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.09 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.94 -74.43 2.17 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.693 -177.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -72.11 123.93 23.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.74 78.88 1.15 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.991 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -90.34 108.97 20.1 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 38' ' ' ARG . . . -148.96 179.43 7.87 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.853 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -95.81 63.72 2.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.866 0.841 . . . . 0.0 109.164 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -69.52 118.07 11.92 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.179 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.518 ' HB ' ' NE2' ' A' ' 36' ' ' HIS . 51.6 t -109.29 121.58 62.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.344 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 63.8 m -105.25 118.01 35.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.464 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -117.55 159.85 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.921 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -106.77 88.93 2.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.864 0.364 . . . . 0.0 110.657 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -84.89 111.47 19.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.737 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.9 t30 61.95 36.72 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.901 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.31 6.48 87.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 113.016 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.3 t -109.13 124.12 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.826 0.313 . . . . 0.0 110.329 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -72.92 117.49 14.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 14.7 p -123.26 137.15 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.881 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.8 m -117.55 112.29 20.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.929 0.395 . . . . 0.0 111.507 -175.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' NE2' ' HB ' ' A' ' 25' ' ' VAL . 21.2 p-80 -95.33 127.99 41.81 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -92.18 107.31 19.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.925 0.393 . . . . 0.0 110.96 -174.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 19.2 tpp180 -85.74 106.87 17.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.3 -4.46 3.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.788 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 . . . . . 0 C--O 1.246 0.884 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.678 179.498 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.939 0.4 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 2' ' ' VAL . 7.7 p -146.13 79.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.312 1.053 . . . . 0.0 110.247 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -84.65 139.77 31.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.616 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.89 42.66 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.21 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -80.82 -16.86 52.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.363 0.601 . . . . 0.0 109.894 -178.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.408 ' N ' ' HD2' ' A' ' 5' ' ' ARG . 11.1 m95 -88.81 23.0 2.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.003 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -68.71 -19.88 64.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.216 0.532 . . . . 0.0 109.967 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.05 114.41 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.023 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -72.61 -13.57 61.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.409 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 0.62 8.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.368 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 p -71.82 -12.45 61.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.085 0.469 . . . . 0.0 110.744 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.38 -28.71 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.816 176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -73.32 152.17 41.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.323 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.25 6.5 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 162.68 -172.26 38.7 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.596 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -115.82 30.23 6.73 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.62 -103.23 2.65 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.673 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.08 23.88 2.86 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.01 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 t -100.97 127.54 47.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.741 0.305 . . . . 0.0 110.894 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.95 71.95 2.93 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 175.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -74.34 122.57 23.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.507 -0.346 . . . . 0.0 111.572 -173.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' A' ' 38' ' ' ARG . . . 62.75 41.21 9.25 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.997 175.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.463 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 5.2 m-90 60.33 90.6 0.06 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.15 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -89.0 97.88 11.45 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 m -113.22 150.37 15.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.078 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.7 m -120.03 114.12 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.405 -176.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.51 142.89 23.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 17.0 m-85 -90.72 100.88 13.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.917 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.45 113.13 25.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.375 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 62.1 32.46 17.48 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.514 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.83 5.87 89.46 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.724 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 84.1 t -102.21 122.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -76.9 97.61 4.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.361 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 t -101.72 106.19 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 0.0 110.625 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.24 103.64 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -96.72 127.74 42.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.673 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -112.57 140.54 47.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.558 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' NH1' ' HB2' ' A' ' 23' ' ' TRP . 55.7 mtt85 -100.26 109.38 21.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.676 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.03 65.99 9.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 0.0 110.173 177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m120 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.625 -0.702 . . . . 0.0 110.25 -178.07 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 2' ' ' VAL . 15.2 t 60.24 38.55 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 122.096 0.951 . . . . 0.0 109.616 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.25 96.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.683 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.37 92.14 1.38 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.739 -0.744 . . . . 0.0 111.447 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.47 -44.6 92.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 110.172 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.7 p90 -89.32 144.44 26.08 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.79 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -104.56 -21.71 13.38 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.495 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 10' ' ' ALA . 83.2 t -89.08 118.13 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.574 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.78 -14.07 62.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.575 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' H ' HG12 ' A' ' 8' ' ' VAL . . . -65.96 -10.83 42.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 110.897 175.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 m -81.0 -21.85 39.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 109.718 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -88.32 -44.55 10.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.533 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -76.79 93.77 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.288 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -110.3 -2.01 16.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.501 0.667 . . . . 0.0 109.777 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.19 -111.59 4.11 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.385 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -107.77 13.14 38.57 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.158 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.8 -103.52 3.04 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.606 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.02 -28.47 49.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.837 177.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 p -76.14 126.25 30.65 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.88 -3.62 67.6 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.959 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -106.64 143.18 35.11 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.45 74.31 0.42 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.488 0.493 . . . . 0.0 111.357 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -71.54 -38.1 71.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.971 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -103.29 115.93 31.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.304 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.564 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 95.5 t -102.36 127.55 55.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.764 -176.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.5 m -108.84 124.91 51.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.989 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 m -128.93 142.95 42.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.445 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -89.7 108.97 20.0 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.252 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 32' ' ' VAL . 96.5 mtt180 -127.48 127.51 44.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.507 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 63.8 23.84 13.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.276 0.56 . . . . 0.0 110.481 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.21 8.95 84.67 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.295 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 29' ' ' ARG . 9.8 p -122.81 145.3 29.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 117.112 0.456 . . . . 0.0 110.684 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -77.89 101.2 6.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.463 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 t -94.3 122.58 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 67.4 m -122.39 110.15 15.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.755 0.312 . . . . 0.0 110.653 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.564 ' CE1' ' HB ' ' A' ' 25' ' ' VAL . 41.0 p-80 -93.23 129.66 39.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.007 0.432 . . . . 0.0 109.951 177.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -95.21 158.13 15.59 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.035 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -76.61 109.29 10.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.31 -2.67 22.03 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.599 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.2 t30 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.385 -0.817 . . . . 0.0 109.848 178.011 . . . . . . . . 0 0 . 1 stop_ save_